Allow Chimera selection specifications

insilichem / gaudi

GaudiMM: A modular optimization platform for molecular design

http://gaudi.readthedocs.io

GNU Lesser General Public License v3.0

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Allow Chimera selection specifications #5

Open jaimergp opened 5 years ago

jaimergp commented 5 years ago

Instead of requesting Molecule/residue_position or Molecule/atom_serial_number, allow Chimera selection commands when possible. Maybe this can be bone at the gaudi.genes.molecule.Compound level, but we first have to figure out how to implement it without breaking the existing find_* calls.

jaimergp commented 5 years ago

Partial support added to gaudi.genes.torsion in PR #4 to see how it would work... Seems OK so far, so this will get implemented soon, I'd say.