beautiful-atoms - Beautiful Atoms 2.3.0

What's Changed

• update GN & fix color for species
• auto-draw cell using geometry node
• add scale parameter for cavity
• support deleting cavity settings
• Fix segments
• update cell for GN of boundary
• support setting minCave and resolution for Cavity
• Asset library
• Add shebang support in install.py
• add main panel for each plugin
• Colored by volumetric data
• Update panel
• Calculate electrostatic potential map using partial charges
• Volumetric data panel and surface coloring
• add cell edge to output geometry
• support Blender 3.4
• Image and workflow upgrade to blender 3.4
• Refactor install.py

Bug fixed

• fix bug: local positions

Breaking Changes

• Only support Blender version >=3.4

- Python
Published by superstar54 almost 3 years ago

beautiful-atoms - Beautiful Atoms 2.2.0

New features

• add right-click menu for Batoms
• update code and container image to support Blender 3.2
• add citation file
• auto-build species based on equivalent atoms
• add custom plugin options in preference

Bug fixes

• fix permission and tagging for docker image
• fix update for model_style, scale and polyhedra_style
• fix update for species
• fix the error for empty bond

Enhancements

• Refactor: separate internal data for plugins/modules
• Add plugin template
• Improve the load speed of Batoms
• Add version tags in container images
• Implemented versioned installation with -t option
• Allow versioned install without specifying local repo path
• Color output for ANSI compatible terminal
• change the parent of offsets object to the self.obj instead of self.batoms.obj
• Using Named attribute node from Blender 3.2 to transfer attribute for scale of atoms

- Python
Published by superstar54 over 3 years ago

beautiful-atoms - Beautiful Atoms 2.1.0

New features

• add docker image
• support array attributes (vector, tensor, ...)
• add logger
• update GUI panel use getter/setter methods
• build container images to ghcr.io
• export 3D mesh data
• add startup and preferences options
• add update options

Bug fixes

• attributes with int32 and float32 arrays
• avoid export numbers in as_ase() function
• change the unit system to None

Enhancements

• improve code in GUI panel

- Python
Published by superstar54 over 3 years ago

beautiful-atoms - Beautiful Atoms 2.0

Key features

Batoms

• Use Geometry Node for instancing objects: atoms, bonds, cavities.
• Ribbon diagram for protein.
• Site occupancy.
• Support periodic boundary conditions.
• Support structures from OpenBabel.
• Support fetching structures from RSCB.
• Support adding label text for each atom.

Algorithm

• Use KDTree for bond search, cavity search
• Build molecular surface using grid methods (stable).

GUI

• Use UIList for all collection properties: species, bond pair, planes, isosurface and so on.
• Integrate Beautiful Atoms into Blender standard menus.

Operators

• Wrap function to Blender standard operator, which supports "UNDO".

CI

• Build Blender 3.0 environment images (docker)
• Lint and unit test

- Python
Published by superstar54 almost 4 years ago

beautiful-atoms - V1.1.0

New features:

• support site occupancy
• support the molecular surface
• support ribbon diagram: sheet, helix, and turn.

- Python
Published by superstar54 about 4 years ago

beautiful-atoms - V1.0.0

First release!

Features:

• Model: space-filling, ball-stick, polyhedral, cavity and so on.
• Structure file: cif, xyz, cube, pdb, json, VASP-out and so on.
• Volumetric data (Isosurface, 2D slicing)
• Lattice plane, Crystal shape
• Interface to ASE, Pymatgen, Pubchem
• Animation
• GUI
• Auto-lighting and rendering.

- Python
Published by superstar54 over 4 years ago