RosettaCommons / pyrosetta_viewer3d

Display PackedPose objects, Pose objects, or PDB files within a Jupyter notebook and Google Colab

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Color pose by per-residue SASA

klimaj opened this issue · comments

nglview (and probably py3Dmol) permit creating custom color palettes. It would be cool to have a preset that colors a pose by various biophysical metrics such as per-residue SASA, per-residue energy, per-residue clashes, etc.

Built-in color schemes are here: https://nglviewer.org/ngl/api/manual/coloring.html
Example use of ColormakerRegistry: https://projects.volkamerlab.org/teachopencadd/talktorials/T017_advanced_nglview_usage.html#Custom-coloring-schemes-and-representations
https://github.com/volkamerlab/kissim_app/blob/f63327e/notebooks/fingerprints/feature_distribution_per_residue.ipynb#Side-chain-orientation
For example, the pdb_prot_align module implements similar: https://jbloomlab.github.io/pdb_prot_align/nglview_example.html

Resolved in #21