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Recent Releases of https://github.com/cdk/depict

https://github.com/cdk/depict - CDK Depict 1.13

  • Using CDK v2.11
  • Use ring fill highlight on reactions
  • Better explicit H handling on inorganic stereo (add v1.11)

image

- Java
Published by johnmay over 1 year ago

https://github.com/cdk/depict - CDK Depict 1.10

What's Changed

  • Allow input from V3000 CT/SD files by @johnmay in https://github.com/cdk/depict/pull/57
  • Show unspecified stereochemistry by @johnmay in https://github.com/cdk/depict/pull/56
  • Fix library link & remove unnecessary ` by @nobkd in https://github.com/cdk/depict/pull/58
  • Be explicit with the spring-boot-maven-plugin version by @mjw99 in https://github.com/cdk/depict/pull/61
  • Various minor dependencies upgrades by @mjw99 in https://github.com/cdk/depict/pull/62
  • Migrate to Junit5 by @mjw99 in https://github.com/cdk/depict/pull/63
  • Migrate docker image from deprecated openjdk to eclipse-temurin by @mjw99 in https://github.com/cdk/depict/pull/64
  • Options for reaction arrows and dative bonds by @johnmay in https://github.com/cdk/depict/pull/59
  • Dep updates by @mjw99 in https://github.com/cdk/depict/pull/68
  • three additional abbreviations by @nbehrnd in https://github.com/cdk/depict/pull/71
  • Support Spring 6 / Jakarta EE by @johnmay in https://github.com/cdk/depict/pull/70
  • Reaction sets by @johnmay in https://github.com/cdk/depict/pull/72
  • Abbreviation handling by @johnmay in https://github.com/cdk/depict/pull/73

New Contributors

  • @johnmay made their first contribution in https://github.com/cdk/depict/pull/57
  • @nobkd made their first contribution in https://github.com/cdk/depict/pull/58
  • @nbehrnd made their first contribution in https://github.com/cdk/depict/pull/71

Full Changelog: https://github.com/cdk/depict/compare/1.9.3...1.10

- Java
Published by johnmay almost 3 years ago

https://github.com/cdk/depict - CDK Depict 1.9.3

What's Changed

  • CDK v2.8 https://github.com/cdk/cdk/releases/cdk-2.8
  • Add Actions CI by @mjw99 in https://github.com/cdk/depict/pull/42
  • Dep upgrades and gitignore tweaks by @mjw99 in https://github.com/cdk/depict/pull/43
  • Minor deps updates by @mjw99 in https://github.com/cdk/depict/pull/44
  • Correct Docker invocation and dep updates by @mjw99 in https://github.com/cdk/depict/pull/46
  • Include maven in docker build, allow non-root users of container. by @C-nit in https://github.com/cdk/depict/pull/47

New Contributors

  • @mjw99 made their first contribution in https://github.com/cdk/depict/pull/42
  • @C-nit made their first contribution in https://github.com/cdk/depict/pull/47

Full Changelog: https://github.com/cdk/depict/compare/1.9.2...1.9.3

- Java
Published by johnmay almost 4 years ago

https://github.com/cdk/depict - CDK Depict 1.9.2

Bump dependencies to mitigate vulnerabilities.

- Java
Published by johnmay over 4 years ago

https://github.com/cdk/depict - Version 1.8

  • Don't regenerate coordinates if they are provided via a MOLfile or CXSMILES
  • Use CDK 2.7.1

- Java
Published by johnmay over 4 years ago

https://github.com/cdk/depict - Version 1.7

Update to CDK v2.6.

- Java
Published by johnmay over 4 years ago

https://github.com/cdk/depict - Version 1.6

  • Restyle the front end UI
  • Updated reagents abbreviations to included counter ion and covalent forms (e.g. both [K]OC(=O)O and [K+].[O-]C(=O)O)
  • Add rotate and flip options
  • Add links to quickly download the PNG, SVG, or PDF on mouse over
  • Support for enhanced stereochemistry, input via CXSMILES

C[C@H](O)CC |&1:1| C[C@H](O)CC |r|

C[C@H](O)CC |o1:1|

C[C@H](O)[C@H](O)CC |&1:1|

  • Fix bug with atom maps being display on contracted groups

- Java
Published by johnmay over 5 years ago

https://github.com/cdk/depict - Version 1.5

  • Support ligand order in depictions CXSMILES, this is used to indicate the attachment ordering of attachments around an R group.

R is selected from or

  • Fix atom-map colouring of "complete" atom-mapping style

- Java
Published by johnmay almost 6 years ago

https://github.com/cdk/depict - Version 1.3

- Java
Published by johnmay over 7 years ago

https://github.com/cdk/depict - Version 1.2

  • Use CDK v2.2
  • Modularise the WebApp so it can be included in larger applications

- Java
Published by johnmay over 7 years ago

https://github.com/cdk/depict - Version 0.3

  • Control of hydrogen display
  • CIP stereo descriptors (using Centres)
  • New themes, cot (color on transparent) and bot (black on transparent)
  • Less aggressive abbreviations, disabled hetero atom abbreviation contract

- Java
Published by johnmay over 8 years ago

https://github.com/cdk/depict - Prerelease 0.2

- Java
Published by johnmay over 9 years ago

https://github.com/cdk/depict - Release 0.1 (alpha)

Initial release of CDK depict.

- Java
Published by johnmay over 10 years ago