insilichem/gaudi

Allow Chimera selection specifications

Opened this issue · 1 comments

jaimergp commented

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

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.