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Recent Releases of moorhen

moorhen - v0.21.1

What's Changed

  • More memory 64 improvements by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/468
  • Multiview prefs by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/470
  • Simplify run-tests.yml for readability & improved cache by @AlexB02 in https://github.com/moorhen-coot/Moorhen/pull/469
  • Better MrParse UI in dark mode. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/471
  • Map Card and EM maps improvements by @cdegut in https://github.com/moorhen-coot/Moorhen/pull/472
  • Drag and drop load by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/473
  • Validate json by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/474
  • Drag and drop json by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/475
  • Drag and drop file loading for MrParse results by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/476
  • Overlay 2d by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/477

Coot commit : https://github.com/pemsley/coot/commit/8e0f11f63cc972db3d40f82fe6e781cf1ad8c342 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/452dabe445c3caeacd3ebedc609756cebcd80947

New Contributors

  • @AlexB02 made their first contribution in https://github.com/moorhen-coot/Moorhen/pull/469
  • @cdegut made their first contribution in https://github.com/moorhen-coot/Moorhen/pull/472

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.20.0...v0.21.1

- TypeScript
Published by stuartjamesmcnicholas about 1 year ago

moorhen - v0.20.0

What's Changed

  • Mrbump by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/464 Branch 'mrbump' actually adds ability to load MrParse results (developer mode only)
  • Bump to MUI version 7. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/465 Upgrade Material UI.
  • Multiview by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/466
  • Multiview by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/467 Side-by-side/cross-eyed and anaglyph stereo; 3-way orthogonal multi-view; tiled view of multiple molecules with one tile per molecule

Coot commit : https://github.com/pemsley/coot/commit/b90a77d7ec49bd4ff9962cfb9d081c3ec1c95071 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/452dabe445c3caeacd3ebedc609756cebcd80947

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.19.1...v0.20.0

- TypeScript
Published by stuartjamesmcnicholas about 1 year ago

moorhen - v0.19.1

This release permits the loading of slightly older session files.

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.19.0...v0.19.1

- TypeScript
Published by stuartjamesmcnicholas about 1 year ago

moorhen - v0.19.0

What's Changed

  • Get coordinate file header info using gemmi and get map cell/sg for card info by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/460
  • Set default value for depth-cue atom labels to default by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/461
  • Improvements to "Import dictionary" by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/462
  • Option for data to be not embedded in save session file (with George Coldstream CCPEM) by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/463
  • 4oo8 map symmetry fixed in Coot.
  • Ability for Lhasa to obtain Adedrg ligand dictionaries from Bansu external server (behind BIG warning)
  • Coot commit : https://github.com/pemsley/coot/commit/b33d5c51f66222051957995f913503726ca3e812
  • Lhasa commit:https://github.com/moorhen-coot/LhasaReact/commit/452dabe445c3caeacd3ebedc609756cebcd80947

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.19.0-alpha.1

What's Changed

  • Get coordinate file header info using gemmi and get map cell/sg for card info by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/460
  • Set default value for depth-cue atom labels to default by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/461
  • Improvements to "Import dictionary" by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/462
  • Option for data to be not embedded in save session file (with George Coldstream CCPEM) by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/463
  • 4oo8 map symmetry fixed in Coot.
  • Ability for Lhasa to obtain Adedrg ligand dictionaries from Bansu external server (behind BIG warning)
  • Coot commit : https://github.com/pemsley/coot/commit/b33d5c51f66222051957995f913503726ca3e812
  • Lhasa commit:https://github.com/moorhen-coot/LhasaReact/commit/452dabe445c3caeacd3ebedc609756cebcd80947

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.18.2...v0.19.0-alpha.1

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.18.2

What's Changed

  • Fix failure to load on recent versions of Chrome on Linux by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/459

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.18.1...v0.18.2

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.18.1

Bug fix release over 0.18.0

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.18.0...v0.18.1

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.18.0

What's Changed

  • Get svg for 2d ligand environment view by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/458

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.17.1...v0.18.0

Coot commit b72d51f93d4201f5cf0f27bbcc06488b7093cb12

Lhasa commit 15e9bed6dfc4830a9d6681ea8234566ea99ed2c7

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.17.1

New Contributors

  • @LucreziaCatapano made their first contribution in https://github.com/moorhen-coot/Moorhen/pull/457

What's Changed

  • Display atom props by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/452: pressing 'i' over atom shows a dialog of atom information; 'View -> Other settings -> Show env. temp factors and occ.' shows atom labels at centre of screen for temp factors and occupancy.
  • Button to copy SMILES to clipboard by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/456
  • Ligand SVG can be downloaded.
  • Update Boost, gemmi, RDKit and clipper.

  • Option (devMode) to use gemmi for libcootapi I/O. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/453

  • Coot commit 54405bc8d7d6175f81a59591dd6cc05803b4e1b2

  • Lhasa commit 15e9bed6dfc4830a9d6681ea8234566ea99ed2c7

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.16.3...v0.17.1

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.17.0

What's Changed

  • Display atom props by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/452: pressing 'i' over atom shows a dialog of atom information; 'View -> Other settings -> Show env. temp factors and occ.' shows atom labels at centre of screen for temp factors and occupancy.
  • Button to copy SMILES to clipboard by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/456
  • Ligand SVG can be downloaded.
  • Update Boost, gemmi, RDKit and clipper.

  • Option (devMode) to use gemmi for libcootapi I/O. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/453

  • Coot commit 54405bc8d7d6175f81a59591dd6cc05803b4e1b2

  • Lhasa commit 15e9bed6dfc4830a9d6681ea8234566ea99ed2c7 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.16.3...v0.17.0

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.16.3

  • Restore new small molecules loading

Coot commit https://github.com/pemsley/coot/commit/7ea9e6577f07106086a9b44e6e77cef6c574fcaa Lhasa commit https://github.com/moorhen-coot/LhasaReact/commit/036fe3c52853da248876298c1da2bc78d138c866

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.16.2...v0.16.3

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.16.2

  • Default to display Hs.

Coot commit https://github.com/pemsley/coot/commit/7ea9e6577f07106086a9b44e6e77cef6c574fcaa Lhasa commit https://github.com/moorhen-coot/LhasaReact/commit/036fe3c52853da248876298c1da2bc78d138c866

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.16.1...v0.16.2

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.16.1

Fix a problem loading local PDB files with 0.16.0.

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.16.0...v0.16.1

Coot commit https://github.com/pemsley/coot/commit/7ea9e6577f07106086a9b44e6e77cef6c574fcaa Lhasa commit https://github.com/moorhen-coot/LhasaReact/commit/036fe3c52853da248876298c1da2bc78d138c866

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.16.0

What's Changed

  • Assemblies can be generated properly by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/451

Coot commit https://github.com/pemsley/coot/commit/1eb35e62886f7b8ebeda47029c1a331ec30765a9 Lhasa commit https://github.com/moorhen-coot/LhasaReact/commit/036fe3c52853da248876298c1da2bc78d138c866

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.15.0...v0.16.0

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.15.0

What's Changed

  • Thermal ellipsoids by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/441
  • SMILES in ligand card. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/442
  • Set occupancy dialog. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/444
  • Move occupancy dialog to Edit menu. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/445
  • Load small molecules through file browser using Stuart's code. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/446
  • Gemmi 0.7.0 by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/447
  • Boost 1.86.0 by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/448
  • Wrap recent libcootapi stuff. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/449
  • Can set coordinate file secondary structure usage (before creating ribbons) by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/450
  • Compiled with emscripten 4.0.0

Coot commit https://github.com/pemsley/coot/commit/1eb35e62886f7b8ebeda47029c1a331ec30765a9 Lhasa commit https://github.com/moorhen-coot/LhasaReact/commit/036fe3c52853da248876298c1da2bc78d138c866

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.14.1...v0.15.0

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.15.0-alpha.0

What's Changed

  • Thermal ellipsoids by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/441
  • SMILES in ligand card. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/442
  • Set occupancy dialog. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/444
  • Move occupancy dialog to Edit menu. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/445
  • Load small molecules through file browser using Stuart's code. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/446
  • Gemmi 0 7 0 by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/447
  • Boost 1 86 0 by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/448
  • Wrap recent libcootapi stuff. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/449
  • Can set SS usage (before creating ribbons) by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/450
  • Compiled with emscripten 4.0.0

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.14.1...v0.15.0-alpha.0

Coot commit https://github.com/pemsley/coot/commit/1eb35e62886f7b8ebeda47029c1a331ec30765a9 Lhasa commit https://github.com/moorhen-coot/LhasaReact/commit/036fe3c52853da248876298c1da2bc78d138c866

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.14.1

What's Changed

  • Add button to copy fitted ligand into new molecule by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/435
  • Change citation to Privateer Web App by @Dialpuri in https://github.com/moorhen-coot/Moorhen/pull/437
  • Update moorhen.css to work with new MUI and parent app CSS by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/436
  • Electrostatics by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/438
  • Electrostatics small fixes. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/439

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.14.0...v0.14.1

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.14.1-alpha.1

Electrostatic surface can now be drawn.

Custom representations can now have variable opacity for all colouring schemes.

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.10.4

What's Changed

  • Add button to copy fitted ligand into new molecule in #435

Coot commit: https://github.com/pemsley/coot/commit/2e92a2b966db3d2eb8ce8c3665b0577181c014e7 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/09d525b3583dd85b4374ad66b7d92d1e3e332fb9 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.10.3...v0.10.4

- TypeScript
Published by FilomenoSanchez over 1 year ago

moorhen - v0.14.0

What's Changed

  • No moorhen data by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/430
  • Small molecule by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/431
  • Fix bugs in "Find ligand" menu by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/432
  • Small mol rdkit by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/433

Coot commit: https://github.com/pemsley/coot/commit/d47af3b98c8ecf905deee5c4dfbe621ad768c591 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/036fe3c52853da248876298c1da2bc78d138c866

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.13.1...v0.14.0

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.13.2-beta.2

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.10.3

What's Changed

  • Add ligand Q-scores under the ligand validation modal in https://github.com/moorhen-coot/Moorhen/commit/f594095d5320aacc2ada74424db5574c039a8bfb

Coot commit: https://github.com/pemsley/coot/commit/2e92a2b966db3d2eb8ce8c3665b0577181c014e7 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/09d525b3583dd85b4374ad66b7d92d1e3e332fb9 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.10.2...v0.10.3

- TypeScript
Published by FilomenoSanchez over 1 year ago

moorhen - v0.13.2-beta.1

What's Changed

  • No moorhen data by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/430
  • Small molecule by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/431
  • Fix bugs in "Find ligand" menu by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/432

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.13.1...v0.13.2-beta.1

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.10.2

What's Changed

  • Fixes related to "Find Ligand" menu in https://github.com/moorhen-coot/Moorhen/pull/432

Coot commit: https://github.com/pemsley/coot/commit/2e92a2b966db3d2eb8ce8c3665b0577181c014e7 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/09d525b3583dd85b4374ad66b7d92d1e3e332fb9 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.10.1...v0.10.2

- TypeScript
Published by FilomenoSanchez over 1 year ago

moorhen - 0.13.2-beta.0

What's Changed

  • No moorhen data by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/430
  • Small molecule by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/431

Coot commit: https://github.com/pemsley/coot/commit/0dfb823bdaec82c13c71e2baa8c90df077c87bb4

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/0.13.2-alpha.1...0.13.2-beta.0

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.13.2-alpha.3

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.13.1...v0.13.2-alpha.3

Coot revision: bb82b75aba7debac979f1a33c959516f14e8dc33 Lhasa revision: 036fe3c52853da248876298c1da2bc78d138c866

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - 0.13.2-alpha.1

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.13.1...0.13.2-alpha.1

Coot revision: 3b2170bd9bf322ba0c8d99614f12d0bca184d124 Lhasa revision: 036fe3c52853da248876298c1da2bc78d138c866

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.13.1

This version largely deals with server changes to fix the broken gallery, PDBID and MONID pages.

Lhasa commit 036fe3c52853da248876298c1da2bc78d138c866 Coot commit ffb1877cbea0656325fc01c69a8691ba8177d382

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.13.0...v0.13.1

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.13.0

What's Changed

  • Unflatten by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/428
  • Lhasa commit 036fe3c52853da248876298c1da2bc78d138c866
  • Coot commit 4bd4980116755dad4d219857d3eeeb4d416c9f48 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.12.3...v0.13.0

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.13.0-alpha.1

v0.13.0-alpha.1

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.12.3

  • Expose sliceNDiceRecucer
  • Ligand builder no longer in dev mode.
  • Coot commit: https://github.com/pemsley/coot/commit/f06ed66a8ba8a7f4dcac9b430af61dbf40c18d78
  • Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/036fe3c52853da248876298c1da2bc78d138c866 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.12.2...v0.12.3

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.12.2

Correctly expose lhasaReducer Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.12.1...v0.12.2

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.12.1

  • Expose lhasaReducer in npm package.

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.12.0...v0.12.1

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.12.0

  • Remove redundant copies of moorhen.js/wasm
  • Export molecule.loadToCootFromString, map.loadToCootFromMtzData and map.loadToCootFromMapData
  • Coot revision d2ccee0864b9154a5467d8f556be282a8022dc7c Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.11.3...v0.12.0

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.11.3

  • Fixes H-Bonds (as in previous release)
  • Fixes packaging error.
  • Coot commit db55e5287d4da9669fa815faa4a0110bfb7d4dfd

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.11.2

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.11.1...v0.11.2

  • Fixes protein to other molecule hydrogen bonds display.
  • Uses Coot db55e5287d4da9669fa815faa4a0110bfb7d4dfd.

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.11.1

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.11.0...v0.11.1

  • Fixes ribbons being broken in previous release.

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.11.0

What's Changed

  • Fixes for loading some ligand dictionaries
  • Now compiled with --wasm-exceptions for compatibility with Lhasa ligand builder

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.10.1...v0.11.0

Coot commit: https://github.com/pemsley/coot/commit/98a839ddbe58d434164a60091f05a260a674c993 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/edbdf40d73fd1714b13666ee8a463b58de139753

- TypeScript
Published by stuartjamesmcnicholas over 1 year ago

moorhen - v0.10.1

What's Changed

  • Fix menu popovers placed on the top in https://github.com/moorhen-coot/Moorhen/pull/420
  • Add minor UI improvements as requested in https://github.com/moorhen-coot/Moorhen/pull/422
  • Fix error with MoorhenMap.autoReadMtz in https://github.com/moorhen-coot/Moorhen/commit/909f3f70a0d2b23385f61a3e3456350280f80f7b

Coot commit: https://github.com/pemsley/coot/commit/090272340f3cf5f73db579fa9e04db1fc1aac203 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/fc76ba10d651c590bbfe45f204f5f3e426d0ed35 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.10.0...v0.10.1

- TypeScript
Published by FilomenoSanchez almost 2 years ago

moorhen - v0.10.0

What's Changed

  • Serve both 32-bit and 64-bit WASM in https://github.com/moorhen-coot/Moorhen/pull/417
  • Fix for Lhasa icons in embedded applications in https://github.com/moorhen-coot/Moorhen/commit/bf776447b544cb413f8dd7ea66cf344ff1e2d753
  • Multiple minor updates to slice-n-dice based on feedback

Coot commit: https://github.com/pemsley/coot/commit/2e92a2b966db3d2eb8ce8c3665b0577181c014e7 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/09d525b3583dd85b4374ad66b7d92d1e3e332fb9 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.9.4...v0.10.0

- TypeScript
Published by FilomenoSanchez almost 2 years ago

moorhen - v0.9.4

What's Changed

  • Automatically colour model by B-factor / PLDDT when opening slice-n-dice modal by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/415
  • Changes to package.json for emsdk >= 3.1.62(?). by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/416

Coot commit: https://github.com/pemsley/coot/commit/88a2d0d800b8b7c4d6da95e9d24708715fcd9100 Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/09d525b3583dd85b4374ad66b7d92d1e3e332fb9 Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.9.3...v0.9.4

- TypeScript
Published by stuartjamesmcnicholas almost 2 years ago

moorhen - v0.9.3

What's Changed

  • Refactor code base to stop using defaultProps in https://github.com/moorhen-coot/Moorhen/pull/414
  • Shadows are now available out of developer mode in https://github.com/moorhen-coot/Moorhen/commit/85a6ba89bc3fed4bb236b11fa277b5b996b776b8
  • Update to latest Lhasa version in https://github.com/moorhen-coot/Moorhen/commit/9613df83a3df85b4e2b9c2624c91e248e7fe1406

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.9.2...v0.9.3 Coot commit: https://github.com/pemsley/coot/commit/ca4f0bacbf1b840f78afe2ac82fc77b9d209d03c Lhasa commit: https://github.com/moorhen-coot/LhasaReact/commit/09d525b3583dd85b4374ad66b7d92d1e3e332fb9

- TypeScript
Published by FilomenoSanchez almost 2 years ago

moorhen - v0.9.2

What's Changed

  • Refactor "Get monomer" and "Import Dictionary" UI components in https://github.com/moorhen-coot/Moorhen/pull/409
  • Lhasa integration in https://github.com/moorhen-coot/Moorhen/pull/410
  • Migrate to graphQL API when querying PDB in https://github.com/moorhen-coot/Moorhen/pull/411
  • Add Q-Score validation chart in https://github.com/moorhen-coot/Moorhen/pull/412
  • Remove console.log in production build in https://github.com/moorhen-coot/Moorhen/commit/2f4dfcaec3419bd7e22753d3636627bf3a0fe95a
  • New structure for public folder in https://github.com/moorhen-coot/Moorhen/commit/5e0da2f0f99b846df1d50bad4b6308a80ed968e5
  • Fixes to slice-n-dice in https://github.com/moorhen-coot/Moorhen/commit/4b3903923beeba47dc52761a28c1f9a6eac3731b
  • Added Q-Score validation in https://github.com/moorhen-coot/Moorhen/commit/d04534ad226d91c7c59cf4d807daa55fccad8143

Important note: Several slices and reducers have been modified so other applications embedding Moorhen within their own Redux store may need to take action.

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.9.1...v0.9.2 Coot commit: https://github.com/pemsley/coot/commit/ca4f0bacbf1b840f78afe2ac82fc77b9d209d03c

- TypeScript
Published by FilomenoSanchez almost 2 years ago

moorhen - v0.9.1

What's Changed

  • Add option to search monomers by name in https://github.com/moorhen-coot/Moorhen/pull/390
  • Add SVG and tooltips to search results when searching ligands by name in https://github.com/moorhen-coot/Moorhen/pull/397
  • Add screenshot manager in https://github.com/moorhen-coot/Moorhen/pull/398
  • Add header information to the UI in https://github.com/moorhen-coot/Moorhen/pull/399
  • Handle transparent colour rules in https://github.com/moorhen-coot/Moorhen/pull/400
  • Add LSQKB superpose to the UI in https://github.com/moorhen-coot/Moorhen/pull/402
  • Extend build script for lhasa in https://github.com/moorhen-coot/Moorhen/pull/403
  • Enable mol. symm. colouring in custom representations and other fixes in https://github.com/moorhen-coot/Moorhen/pull/404
  • Split libs moorhen build in https://github.com/moorhen-coot/Moorhen/pull/405
  • Add symmetry and M2T parameters to session file in https://github.com/moorhen-coot/Moorhen/pull/406
  • Add residue environment representation in https://github.com/moorhen-coot/Moorhen/pull/407
  • Refactor loadSessionData and other session related functions as static methods of MoorhenTimeCapsule in 45eed5f662cb0f564a246a5c86f12bc0a658db10
  • Fix bug where closing slice-n-dice modal wouldn't clear unused slices in 0f65896f61cc962f18103c8167ad1ccdf39a9d56
  • Fix colour rule bug for adaptive bonds in bd9ae9d76eb2e031aecfdfd26af6712688f2bb39
  • Fix bug where sessions could not be loaded if there were molecules with no representations in 93f57ac97cda68e633772c7b3d7bcf953b5ab5c7
  • Add default nucleotide ribbon representations in 1232a2b10a17b6dd22d43f2cc467c3c783f4c5e1
  • Attach and detach modals to sidebar in e375f5306b555ae0d0dfddfe379fdd5dd5ab0065
  • Automatically attempt to download missing monomers from PDBe chem if not found in monomer library in 11587655af0cc92936be546bc0320587c119b8ec

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.9.0...v0.9.1 Coot commit: https://github.com/pemsley/coot/commit/1f1c7c0e39cb30c3de6e0a77628376a22791ef6a

- TypeScript
Published by FilomenoSanchez about 2 years ago

moorhen - v0.9.0

What's Changed

  • Export MoorhenStore as part of the npm module instead of MoorhenReduxStore in https://github.com/moorhen-coot/Moorhen/commit/a8ef151452f6624c44f136ac4a02b4f139feb9a9
  • Rename method addDictShim to cacheLigandDict in MoorhenMolecule in https://github.com/moorhen-coot/Moorhen/commit/6694bc503c494a744d4fea209c582125688ed6be
  • Fix bug where molecules are not redrawn after importing a new ligand dictionary if a new ligand is not created and merged into the molecule in https://github.com/moorhen-coot/Moorhen/commit/08f29bdaf1512519ce7173eeecf68d60ac6a6a35
  • Change the minimum number of slices that can be generated in the Slice-n-Dice plugin to in https://github.com/moorhen-coot/Moorhen/commit/26c8672e147087d34af3f9b36cfae2cb653fd6b9
  • Export M2T representations as GLTF files in https://github.com/moorhen-coot/Moorhen/commit/c6d61039e1953c0b5ec109a5e03b211b450299bf
  • Change the output of the Slice-n-Dice plugin so that it outputs a single PDB file with one model where each slice is a separate chain instead of creating an ensemble where each slice is stored in a separate model in https://github.com/moorhen-coot/Moorhen/commit/62331fc872d7166f2423bfdf9b933c7650152c87
  • Add new static method autoReadMtz to MoorhenMap in https://github.com/moorhen-coot/Moorhen/commit/fd3c84aa5957d45c9bffaf940621d76c97a76064
  • Use snackbar components to manage notifications in https://github.com/moorhen-coot/Moorhen/pull/389
  • Add new method fetchMapMean to MoorhenMap in https://github.com/moorhen-coot/Moorhen/commit/5d5d7cd6cc432a0e4304e2ed87311396c728d80c
  • Create new function loadSessionFromArrayBuffer and export it in npm module in https://github.com/moorhen-coot/Moorhen/commit/4a2a114015b00106aea9c696450392ce08982b7d
  • Fix dark ligand cards in "Find Ligand" when using dark mode in https://github.com/moorhen-coot/Moorhen/pull/389
  • Fix dark text in the "History" menu when using dark mode in https://github.com/moorhen-coot/Moorhen/pull/389
  • Fix compilation issues with latest emcc version in https://github.com/moorhen-coot/Moorhen/commit/ba6ea71a3fccf92cdd0fba2605e934169d2fe16e
  • Move contents of ./public/baby-gru/wasm to ./public/baby-gru in https://github.com/moorhen-coot/Moorhen/commit/ba6ea71a3fccf92cdd0fba2605e934169d2fe16e

Important note: Several slices and reducers have been removed/added in https://github.com/moorhen-coot/Moorhen/pull/389 so other applications embedding Moorhen within their own Redux store may need to take action.

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.8.5...v0.9.0 Coot commit: https://github.com/pemsley/coot/commit/a59efb096421b40b5af8ccbb041e68918eb9e199

- TypeScript
Published by FilomenoSanchez about 2 years ago

moorhen - v0.8.5

What's Changed

  • Fix issue cannot read properties of undefined (reading 'pMatrixUniform') when using WebGL 1.
  • Fix issue where non-library ligands are drawn as balls when refining or dragging atoms.

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.8.4...v0.8.5 Coot commit: https://github.com/pemsley/coot/commit/daa64f61cedd069379623d260cfe8137940a511d

- TypeScript
Published by FilomenoSanchez about 2 years ago

moorhen - v0.8.4

What's Changed

  • Update MoorhenContainer and other utils so that it can be embedded within an external redux store in https://github.com/moorhen-coot/Moorhen/pull/384

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.8.3...v0.8.4 Coot commit: https://github.com/pemsley/coot/commit/daa64f61cedd069379623d260cfe8137940a511d

- TypeScript
Published by FilomenoSanchez about 2 years ago

moorhen - v0.8.3

What's Changed

  • Fix bug with "Find ligand" and long ligand names by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/373
  • Add PAE clustering to Slice-n-Dice UI by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/374
  • 64 bit by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/375
  • Fix long labels for custom representations and apply colour to non-carbon atoms and other fixes by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/380
  • Use protobuf to store moorhen session files and other improvements to session handling by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/381
  • Variable sized golden balls. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/382

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.8.2...v0.8.3

- TypeScript
Published by FilomenoSanchez about 2 years ago

moorhen - v0.8.2

What's Changed

  • Change refinement default selection dynamically depending on the input map in https://github.com/moorhen-coot/Moorhen/pull/371
  • Allow residue mutations without an active map (skips the "auto-fit rotamer" step)
  • Fix bug where biomolecules are drawn grey
  • Fix bug where light settings for the central symmetry copy where incorrect
  • Fix bug where set_use_rama_plot_restraints had no effect due to missing C++ wrappers

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.8.1...v0.8.2 Coot commit: https://github.com/pemsley/coot/commit/daa64f61cedd069379623d260cfe8137940a511d

- TypeScript
Published by FilomenoSanchez about 2 years ago

moorhen - v0.8.1

What's Changed

  • Added Shift + G keyboard shortcut to enable "Go to residue..." pop up.
  • Improved UI for ligand fitting: now only one ligand is drawn at a time (the ligand on focus) and the ligand cards get highlighted when they are on focus.
  • Fixed bug where dragging atoms did not get registered in MoorhenHistory

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.8.0...v0.8.1 Coot commit: https://github.com/pemsley/coot/commit/86ee711ba3a856808f1f111081a969a1e4f99677

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.8.0

What's Changed

  • Adding Privateer to Moorhen by @Dialpuri in https://github.com/moorhen-coot/Moorhen/pull/271
  • Add privateer validation by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/283
  • Bug fixes and minor improvements for privateer validation by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/284
  • Fix non updating maps by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/285
  • Cache results from privateer by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/286
  • Add missing colour rules for custom representations and use pop_back for molten fragments by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/295
  • Cache ligand SVGs by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/296
  • Use cache in giuthub actions by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/298
  • Fecth contour level from EMDB and hide missing loops when dragging atoms by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/299
  • Update glycoblocks styles and other minor changes by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/300
  • Add option to use current atom selection and add more space to map and molecule labels by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/304
  • Move SSAO out of dev mode by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/305
  • Add notification when worker is too busy and refactor score updates redux slice by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/307
  • Move colour by mol. symmetry out of dev mode and make CAs 1.5 times thicker by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/310
  • Fix ligand represetnations and add option to change NCS colouring by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/312
  • Set zoom level based on molecule diameter by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/313
  • Add adaptative bonds and changeChainID to moorhenMolecule by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/314
  • Enable change chain ID in the UI by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/315
  • Decompress file fetched from EMDB if failed to read by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/316
  • Fixes to double sliders and other changes by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/317
  • Fix touch gestures for mobile devices by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/318
  • Add shift field refinement, multiply Bfactors and more tests by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/329
  • Biomolecules. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/330
  • Enable adaptative bonds by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/331
  • Optimise MoorhenMolecule.gemmiAtomsForCid and other fixes for adaptative bonds by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/333
  • Edge detection by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/334
  • Add Moorhen fleets by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/335
  • Add split ensemble model and animate trajectory to the UI by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/336
  • Add more features to session view data attribute and refactor redux store molecule data by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/337
  • Small bug fixes for session storage and better map colour handling by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/338
  • Various improvements to collaborative sessions by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/343
  • Move doSpinTest out of preferences and out of dev mode by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/344
  • Fix nightly tests by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/347
  • Fix background image used in rama plots to match outliers more closely by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/349
  • Add MoorhenColourRule and other changes by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/357
  • Add minimize energy to the UI by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/358
  • Add refinement restraints settings by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/359
  • Add slice-n-dice UI by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/360
  • Make golden balls work with symmetry by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/362
  • Remove vec3 utility duplication and remove unused code. by @stuartjamesmcnicholas in https://github.com/moorhen-coot/Moorhen/pull/368
  • Updates to slice-n-dice and minimize_energy by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/369
  • Add reContourMapOnlyOnMouseUp to preferences by @FilomenoSanchez in https://github.com/moorhen-coot/Moorhen/pull/370

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.7.3...v0.8.0 Coot commit: https://github.com/pemsley/coot/commit/86ee711ba3a856808f1f111081a969a1e4f99677

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.7.3

What's Changed

  • Changes to scene settings style in https://github.com/moorhen-coot/Moorhen/pull/262
  • Increase max contour level of EM maps in https://github.com/moorhen-coot/Moorhen/pull/263
  • Add UI elements for selection of atom radius in map masking in https://github.com/moorhen-coot/Moorhen/pull/264
  • Enable exports to gltf in https://github.com/moorhen-coot/Moorhen/pull/265
  • Fix issue with colour rules and gltf export in https://github.com/moorhen-coot/Moorhen/pull/266
  • Fix issue with residue selections and pan view in https://github.com/moorhen-coot/Moorhen/pull/269
  • Add stepped refinement in https://github.com/moorhen-coot/Moorhen/pull/270
  • Add utility to flip all / fill all in https://github.com/moorhen-coot/Moorhen/pull/273
  • Update refine after mod so that is also animated in https://github.com/moorhen-coot/Moorhen/pull/274
  • Use animated refinement in more places in https://github.com/moorhen-coot/Moorhen/pull/277
  • Fix auto open mtz and set timeout when querying the PDB in https://github.com/moorhen-coot/Moorhen/pull/279
  • Fix centre on ligand menu in https://github.com/moorhen-coot/Moorhen/pull/280

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.7.2...v0.7.3

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.7.2

What's Changed

  • Fix bug when displaying symmetry mates in https://github.com/moorhen-coot/Moorhen/pull/255

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.7.1...v0.7.2

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.7.1

What's Changed

  • Add colour ramp rule in https://github.com/moorhen-coot/Moorhen/pull/247
  • Add input text hex colour pickers in https://github.com/moorhen-coot/Moorhen/pull/248
  • Move code used to trigger score updates into redux in https://github.com/moorhen-coot/Moorhen/pull/249
  • Add new gltf functions and some minor changes in https://github.com/moorhen-coot/Moorhen/pull/250
  • Add SS2 colouring in https://github.com/moorhen-coot/Moorhen/pull/251
  • Move scene settings to a separate window in https://github.com/moorhen-coot/Moorhen/pull/252
  • Fix styles of new scene settings modal in https://github.com/moorhen-coot/Moorhen/pull/253
  • Fix bug to update scores after merging a ligand in https://github.com/moorhen-coot/Moorhen/pull/254

Other fixes: * Fixed bug preventing map updates for connected maps after refinement. * Fixed type definitions and functions exported in npm module

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.7.0...v0.7.1

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.7.0

What's Changed

  • Fix upload dictionaries with multiple ligands in https://github.com/moorhen-coot/Moorhen/pull/216
  • Optionally normalise bfactors in https://github.com/moorhen-coot/Moorhen/pull/217
  • Handle changes in focus of draggable modals in https://github.com/moorhen-coot/Moorhen/pull/218
  • New options for residue selections and new fitligandinfo_t in https://github.com/moorhen-coot/Moorhen/pull/219
  • Add rotate/translate to residue selection menu and add ATOM option again in https://github.com/moorhen-coot/Moorhen/pull/220
  • Add drag atoms to residue selection menu in https://github.com/moorhen-coot/Moorhen/pull/221
  • Add UI for cheme. comp. info and more tests in https://github.com/moorhen-coot/Moorhen/pull/222
  • Use molecule to string methods from libcoot in getAtoms in https://github.com/moorhen-coot/Moorhen/pull/223
  • Fix multi-CID bug and add option to invert selections in https://github.com/moorhen-coot/Moorhen/pull/232
  • Control map contouring from redux store in https://github.com/moorhen-coot/Moorhen/pull/233
  • Access map contour params directly from redux store in https://github.com/moorhen-coot/Moorhen/pull/234
  • Fix map sharpening in https://github.com/moorhen-coot/Moorhen/pull/235
  • Move map colours to redux store in https://github.com/moorhen-coot/Moorhen/pull/236
  • Separate validation tools into individual modals in https://github.com/moorhen-coot/Moorhen/pull/237
  • Avoid copying data in gemmi-wrappers and add more tests in https://github.com/moorhen-coot/Moorhen/pull/238
  • Fix issue with residue selection buttons in https://github.com/moorhen-coot/Moorhen/pull/243
  • Move molecule visibility into redux store in https://github.com/moorhen-coot/Moorhen/pull/246
  • Fix issue where env. distance labels are not cleared in https://github.com/moorhen-coot/Moorhen/commit/bd0204501640a178e50d2a207d152f447fbd66b0
  • Set 3 threads for faster map contouring in https://github.com/moorhen-coot/Moorhen/commit/1493620d091f5d3c38d671130f670df2d1383bca

Important changes to the API - Attribute MoorhenMap.isVisible no longer exists as this is now controlled in the redux store (in #233) - The redundant attribute MoorhenMap.mapColour has been removed (in #233) - New attribute MoorhenMap.showOnLoad added to control whether a map is to be displayed after loading (in #233) - newMapContour event has been removed as this can now be done via redux store (in #233) - Attributes MoorhenMap.solid and MoorhenMap.litLines have now been refactored into a single attribute MoorhenMap.stlye (in #233) - MoorhenMap.makeCootLive and MoorhenMap.makeCootUnlive have been renamed to drawMapContour and hideMapContour respectively (in #234) - Added new method MoorhenMap.getMapContourParams() that gets map contour parameters from the redux store (in #234) - Rename MoorhenMap.setColour to MoorhenMap.fetchColourAndRedraw and remove optional argument redraw (in #238) - Rename MoorhenMap.setDiffMapColour to MoorhenMap.fetchDiffMapColourAndRedraw and remove optional argument redraw (in #238) - Rename MoorhenMap.setAlpha to MoorhenMap.fetchMapAlphaAndRedraw and remove optional argument redraw (in #238) - Rename MoorhenMap.duplicate to MoorhenMap.copyMap (in #238) - Attribute MoorhenMolecule.isVisible is now a method MoorhenMolecule.isVisible() that fetches data from redux store (in #246)

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.8...v0.7.0

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.8

What's Changed

  • Iris validation in https://github.com/moorhen-coot/Moorhen/pull/202
  • Move getMoleculeBFactors into C++ and use as a method of MoorhenMolecule and fixes to writeCIFASCII in https://github.com/moorhen-coot/Moorhen/pull/203
  • Add support to colouring by molecular symmetry in https://github.com/moorhen-coot/Moorhen/pull/205
  • Add new state to redux store newCootCommandAlert and enforceMaxBodyDimensions to MoorhenDragabbleModalBase in https://github.com/moorhen-coot/Moorhen/pull/206
  • Support of mmcif format when comunicating with libcoot api in https://github.com/moorhen-coot/Moorhen/pull/207
  • Move some bindings to value_object in https://github.com/moorhen-coot/Moorhen/pull/208
  • Add MoorhenMap tests to the testing suite in https://github.com/moorhen-coot/Moorhen/pull/209
  • Test map contouring in https://github.com/moorhen-coot/Moorhen/pull/210
  • Fix switch in find ligand menu in https://github.com/moorhen-coot/Moorhen/pull/211
  • Add setZoomAnimated to mgWebGL in https://github.com/moorhen-coot/Moorhen/pull/212
  • New find ligand UI with radio buttons in https://github.com/moorhen-coot/Moorhen/pull/213
  • Enable change of colour from the residue selection menu in https://github.com/moorhen-coot/Moorhen/pull/214
  • Add B-Factor smoothing to gaussian surfaces in https://github.com/moorhen-coot/Moorhen/pull/215

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.7...v0.6.8

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.7

What's Changed

  • Add fit ligand anywhere and new UI for find ligand in https://github.com/moorhen-coot/Moorhen/pull/201

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.6...v0.6.7

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.6

What's Changed

  • Fix bug where content overflows body of new resizable modals in https://github.com/moorhen-coot/Moorhen/pull/198
  • Update setOriginAnimated to use dynamic number of frames in https://github.com/moorhen-coot/Moorhen/pull/199
  • Add iris validation (devMode) and fix bug where 0 frames are requested in recentering animation in https://github.com/moorhen-coot/Moorhen/pull/200

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.5...v0.6.6

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.5

What's Changed

  • Inject controls keyboard SVG as plain text into DOM and enable actions on speherical residue selections in https://github.com/moorhen-coot/Moorhen/pull/197

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.4...v0.6.5

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.4

What's Changed

  • New UI for ligand validation cards in https://github.com/moorhen-coot/Moorhen/pull/190
  • Add serNo to time capsule backups (required for CCP4 Cloud) in https://github.com/moorhen-coot/Moorhen/pull/191
  • Get monomer uses monomer library GH repo instead of EBI in https://github.com/moorhen-coot/Moorhen/pull/192
  • Manage dragging atoms, rotating atoms and rotamer change in redux store in https://github.com/moorhen-coot/Moorhen/pull/193
  • Expand residue selections to include neighboring residues in https://github.com/moorhen-coot/Moorhen/pull/194

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.3...v0.6.4

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.3

What's Changed

  • Fix structure already deleted bug when merging molecules in https://github.com/moorhen-coot/Moorhen/pull/185
  • Fix bugs and move fit ligand using conformers out of dev mode in https://github.com/moorhen-coot/Moorhen/pull/189

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.2...v0.6.3

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.2

What's Changed

  • Make draggable modals resizable in https://github.com/moorhen-coot/Moorhen/pull/169
  • Migrate MMRRC plot to typescript in https://github.com/moorhen-coot/Moorhen/pull/170
  • Update colour of molecule colour rules after creation in https://github.com/moorhen-coot/Moorhen/pull/172
  • Set boundaries for MoorhenDraggableModalBase in https://github.com/moorhen-coot/Moorhen/pull/173
  • Prevent draggable modals getting outside the window on resize events in https://github.com/moorhen-coot/Moorhen/pull/174
  • Add SPHERE selection to dragging atoms in https://github.com/moorhen-coot/Moorhen/pull/175
  • Add residue selections in https://github.com/moorhen-coot/Moorhen/pull/177
  • Fix structure already deleted bug in MoorhenMolecule.isLigand() in https://github.com/moorhen-coot/Moorhen/pull/178
  • Move gemmiAtomsForCid to C++ in https://github.com/moorhen-coot/Moorhen/pull/179
  • Add overflow to sequence viewer and add tests for water validation in https://github.com/moorhen-coot/Moorhen/pull/180
  • Small update with requests in https://github.com/moorhen-coot/Moorhen/pull/181
  • Manage residue selection actions with a notification component in https://github.com/moorhen-coot/Moorhen/pull/182
  • Connect sequence viewer with new residue selections in https://github.com/moorhen-coot/Moorhen/pull/183
  • Add tooltip to residue range selection action buttons and other changes in https://github.com/moorhen-coot/Moorhen/pull/184

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.1...v0.6.2

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.1

What's Changed

  • Migrate to vite in https://github.com/moorhen-coot/Moorhen/pull/153
  • Add sharpen map with resample in https://github.com/moorhen-coot/Moorhen/pull/157
  • Add water validation and other small changes in https://github.com/moorhen-coot/Moorhen/pull/158
  • Enable colour map by other map in https://github.com/moorhen-coot/Moorhen/pull/159
  • Small changes to menu items in https://github.com/moorhen-coot/Moorhen/pull/160
  • Add TS transpilation check to vite plugins in https://github.com/moorhen-coot/Moorhen/pull/161
  • Fix bug with plddt colours and bond settings in https://github.com/moorhen-coot/Moorhen/pull/163
  • Add extraNavBarModals to MoorhenContainer props in https://github.com/moorhen-coot/Moorhen/pull/164
  • Add includeNavBarMenuNames to MoorhenContainer props in https://github.com/moorhen-coot/Moorhen/pull/166

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.6.0...v0.6.1

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.6.0

What's Changed

  • Enable use of applyColourToNonCarbonAtoms when drawing bonds in https://github.com/moorhen-coot/Moorhen/pull/123
  • Fixes to split map by chain in https://github.com/moorhen-coot/Moorhen/pull/127
  • Store column names after auto open mtz and set colour rules after merge molecules in https://github.com/moorhen-coot/Moorhen/pull/128
  • Move CCP4 Cloud wrapper to a different repository in https://github.com/moorhen-coot/Moorhen/pull/130
  • Auto set estimated map weight of active map in https://github.com/moorhen-coot/Moorhen/pull/131
  • Add histogram draft in https://github.com/moorhen-coot/Moorhen/pull/133
  • Replace shim functions in coot worker with c++ functions in moorhen wrapper in https://github.com/moorhen-coot/Moorhen/pull/134
  • Fix typescript compilation tests in https://github.com/moorhen-coot/Moorhen/pull/135
  • Add map histogram to map cards and refactor code into MoorhenNotification in https://github.com/moorhen-coot/Moorhen/pull/136
  • Set map colour automatically and refactor video recording in https://github.com/moorhen-coot/Moorhen/pull/137
  • Click on histogram lets user set countour level in https://github.com/moorhen-coot/Moorhen/pull/138
  • Changes to map histogram in https://github.com/moorhen-coot/Moorhen/pull/139
  • Fix tsc tests and some minor changes in https://github.com/moorhen-coot/Moorhen/pull/140
  • Migrate to redux store part I in https://github.com/moorhen-coot/Moorhen/pull/141
  • Add more variables to redux store in https://github.com/moorhen-coot/Moorhen/pull/144
  • Bump dependency version in https://github.com/moorhen-coot/Moorhen/pull/143
  • Solve the flashing issue in chrome in https://github.com/moorhen-coot/Moorhen/pull/146
  • Move more states to redux in https://github.com/moorhen-coot/Moorhen/pull/147
  • Move molecules and maps to redux store in https://github.com/moorhen-coot/Moorhen/pull/148
  • Remove forwardControls and update docstrings in https://github.com/moorhen-coot/Moorhen/pull/149
  • Enable downloads from EMDB in https://github.com/moorhen-coot/Moorhen/pull/150
  • Fix preferences export and version bump in https://github.com/moorhen-coot/Moorhen/pull/151
  • Video recording has been added

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.5.1...v0.6.0

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.5.1

What's Changed

  • Fix bugs in https://github.com/moorhen-coot/Moorhen/pull/120
  • Generate/clear self-restraints and jiggle fit with blur in https://github.com/moorhen-coot/Moorhen/pull/121
  • Add representations for molecule restraints in https://github.com/moorhen-coot/Moorhen/pull/122

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.5.0...v0.5.1

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.5.0

What's Changed

  • Refactor integration tests and add support more testing suites in https://github.com/moorhen-coot/Moorhen/pull/99
  • Add necessary changes to test moorhenMolecule and moorhenMap methods in https://github.com/moorhen-coot/Moorhen/pull/100
  • Add more tests for moorhenMolecule in https://github.com/moorhen-coot/Moorhen/pull/101
  • Fix nightly tests in https://github.com/moorhen-coot/Moorhen/pull/102
  • Fix nightly tests and other minor fixes in https://github.com/moorhen-coot/Moorhen/pull/103
  • Fix issue with ligand surfaces in https://github.com/moorhen-coot/Moorhen/pull/104
  • Better use of React.useContext in https://github.com/moorhen-coot/Moorhen/pull/105
  • Third attempt at fixing nightly tests in https://github.com/moorhen-coot/Moorhen/pull/107
  • Include ligand dictionaries in session data in https://github.com/moorhen-coot/Moorhen/pull/110
  • Disable representations depending on molecule contents in https://github.com/moorhen-coot/Moorhen/pull/111
  • Address some performance issues in https://github.com/moorhen-coot/Moorhen/pull/113
  • Automatically disable atom hovering for large structures and fix TS transpilation in https://github.com/moorhen-coot/Moorhen/pull/114
  • FIx issue with excluded CIDs in https://github.com/moorhen-coot/Moorhen/pull/116
  • Draw large molecules as ribbons and other small changes in https://github.com/moorhen-coot/Moorhen/pull/117
  • moorhenMolecule.getAtoms return type has changed, it's now a Promise<number>

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.4.4...v0.5.0

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.4.4

What's Changed

  • Fix issue with residue selections on merged ligands in https://github.com/moorhen-coot/Moorhen/pull/89
  • Enable edits of created custom representations in https://github.com/moorhen-coot/Moorhen/pull/90
  • Refactor code used to load a session JSON and export it in npm package as requested in https://github.com/moorhen-coot/Moorhen/pull/91
  • Update map sampling rate to take more values as requested in https://github.com/moorhen-coot/Moorhen/pull/92
  • Add contact button and fix context menu in microsoft edge in https://github.com/moorhen-coot/Moorhen/pull/93
  • Fix multiple issues with representations from restored session backups in https://github.com/moorhen-coot/Moorhen/pull/95
  • Use CSS to declutter code in https://github.com/moorhen-coot/Moorhen/pull/96
  • Re-enable MoorhenHistory in https://github.com/moorhen-coot/Moorhen/pull/97
  • Enable undo/redo keyboard shortcuts in https://github.com/moorhen-coot/Moorhen/pull/98

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.4.3...v0.4.4

- TypeScript
Published by FilomenoSanchez over 2 years ago

moorhen - v0.4.3

What's Changed

  • Add map sampling rate controls in https://github.com/moorhen-coot/Moorhen/pull/84
  • Fix bug causing yellow balls for hovered atoms ocasionally stuck in https://github.com/moorhen-coot/Moorhen/pull/86
  • Fix bug affecting custom representations in session backups in https://github.com/moorhen-coot/Moorhen/pull/87

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.4.2...v0.4.3

- TypeScript
Published by FilomenoSanchez almost 3 years ago

moorhen - v0.4.2

What's Changed

  • Get suggested radius for EM maps in https://github.com/moorhen-coot/Moorhen/pull/77
  • Fix bug when loading tutorial data in https://github.com/moorhen-coot/Moorhen/pull/80

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.4.1...v0.4.2

- TypeScript
Published by FilomenoSanchez almost 3 years ago

moorhen - v0.4.1

What's Changed

  • Fixed some wrong type definitions packaged in the tarball in https://github.com/moorhen-coot/Moorhen/pull/74

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.4.0...v0.4.1

- TypeScript
Published by FilomenoSanchez almost 3 years ago

moorhen - v0.4.0

What's Changed

  • Use suggested contour level on map load in https://github.com/moorhen-coot/Moorhen/pull/42
  • Handle map contour and other events within the app if viewOnly in https://github.com/moorhen-coot/Moorhen/pull/43
  • Fix copy fragment bug in https://github.com/moorhen-coot/Moorhen/pull/46
  • Fix colour rules bug in https://github.com/moorhen-coot/Moorhen/pull/47
  • Use suggested initial contour level in https://github.com/moorhen-coot/Moorhen/pull/48
  • Update speed dial with scroll bar in https://github.com/moorhen-coot/Moorhen/pull/49
  • Update colour rules UI in https://github.com/moorhen-coot/Moorhen/pull/50
  • Use MoorhenMoleculeRepresentations to define custom representations part I in https://github.com/moorhen-coot/Moorhen/pull/52
  • Fix ligand representation issue in https://github.com/moorhen-coot/Moorhen/pull/53
  • Handle outdated session backups in https://github.com/moorhen-coot/Moorhen/pull/54
  • Add ligand validation in https://github.com/moorhen-coot/Moorhen/pull/55
  • Use MoorhenMoleculeRepresentations to define custom representations part II in https://github.com/moorhen-coot/Moorhen/pull/56
  • Use MoorhenMoleculeRepresentations to define custom representations part III in https://github.com/moorhen-coot/Moorhen/pull/57
  • Update UI for colour pickers in https://github.com/moorhen-coot/Moorhen/pull/58
  • Use MoorhenMoleculeRepresentations to define custom representations part IV in https://github.com/moorhen-coot/Moorhen/pull/59
  • New context menu and other general fixes in https://github.com/moorhen-coot/Moorhen/pull/60
  • Update cloud wrapper with requested changes in https://github.com/moorhen-coot/Moorhen/pull/61
  • Add preference to make modals non-transparent in https://github.com/moorhen-coot/Moorhen/pull/62
  • Custom bond colours for CID selections in https://github.com/moorhen-coot/Moorhen/pull/63
  • Add additional argument to setuserdefinedatomcolourbyselection for O & N colour in https://github.com/moorhen-coot/Moorhen/pull/64
  • Enable cootCommandList in https://github.com/moorhen-coot/Moorhen/pull/65
  • Changes requested for cloud in https://github.com/moorhen-coot/Moorhen/pull/66
  • Attempt to bring back history part I in https://github.com/moorhen-coot/Moorhen/pull/67
  • Update centreOnLigand menu item to use mui TreeView in https://github.com/moorhen-coot/Moorhen/pull/68
  • Set bond options when creating a new representation in https://github.com/moorhen-coot/Moorhen/pull/69
  • New UI for default molecule bond settings in https://github.com/moorhen-coot/Moorhen/pull/70
  • Add scene presets and other UI updates in https://github.com/moorhen-coot/Moorhen/pull/71
  • Persistent menu options in context menu in https://github.com/moorhen-coot/Moorhen/pull/72

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.3.1...v1.0.0

- TypeScript
Published by FilomenoSanchez almost 3 years ago

moorhen - v0.3.1

What's Changed

  • Add button to collapse all molecule/map cards in https://github.com/moorhen-coot/Moorhen/pull/40
  • Fix bug preventing "Create cov. link using aceDRG" modal from appearing in https://github.com/moorhen-coot/Moorhen/pull/41
  • Include selected molecule number in aceDRG cov. link form data in https://github.com/moorhen-coot/Moorhen/pull/41
  • Fix bug making the background turn magenta when changing depth blur

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.3...v0.3.1

- TypeScript
Published by FilomenoSanchez almost 3 years ago

moorhen - v0.3

What's Changed

  • New UI layout in https://github.com/moorhen-coot/Moorhen/pull/34
  • New speed dial behaviour and export TS types in npm package in https://github.com/moorhen-coot/Moorhen/pull/37
  • Add more types to main.d.ts in https://github.com/moorhen-coot/Moorhen/pull/38
  • Add last missing jsDocs in https://github.com/moorhen-coot/Moorhen/pull/39

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.2.1...v0.3

- TypeScript
Published by FilomenoSanchez almost 3 years ago

moorhen - v0.2.1

What's Changed

  • Fixed bug that caused "Add terminal residue" not to work
  • Implemented #24
  • Add sanity checks to user inputs in https://github.com/moorhen-coot/Moorhen/pull/26
  • Fix bug #27
  • Add CAs+Lig representation in https://github.com/moorhen-coot/Moorhen/pull/28
  • Add molecule select to "Go to" menu item and change chain Id to dev mode in https://github.com/moorhen-coot/Moorhen/pull/30
  • Implemented make_masked_maps_split_by_chain in cfed330
  • Blur options menu-item added in 73d83c1

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.2...v0.2.1

- TypeScript
Published by FilomenoSanchez almost 3 years ago

moorhen - v0.2

What's Changed

  • Refactor molecule and map constructor to accept glRef and export itemReducer in npm package in https://github.com/moorhen-coot/Moorhen/pull/20
  • Fix ramachandran bug and minor version bump in https://github.com/moorhen-coot/Moorhen/pull/23

Full Changelog: https://github.com/moorhen-coot/Moorhen/compare/v0.1...v0.2

- TypeScript
Published by FilomenoSanchez almost 3 years ago

moorhen - v0.1

Full Changelog: https://github.com/moorhen-coot/Moorhen/commits/v0.1

- TypeScript
Published by FilomenoSanchez almost 3 years ago