New functionality in PyMOL command line scripts
MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs.
The PyMOL command line scripts now have additional functionality:
- Volume objects to visualize X-ray and cryo-EM density for complex, chains, ligands, binding pockets, pocket solvents, pocket inorganics, etc.
- Alignment of macromolecules and densities during visualization of X-ray and cryo-EM densities
- Surface colored by vacuum electrostatics at residue level for chains and pockets
- Surface colored by hydrophobicity along with charge at atom level for chains and pockets
- Aromatic, polar, positively charged, negatively charged, and other residue group objects for chains and pockets