pyemap.custom_residues.find_conjugated_systems

pyemap.custom_residues.find_conjugated_systems(atoms, res_names)[source]

Finds conjugated systems within a BioPython residue object, and returns them as individual customized BioPython Residue objects.

Parameters:

  • atoms (array-like) – List of atoms in the residue

  • res_names (arary-like) – List of already used names for custom residues

Returns:

custom_res_list – List of customized Bio.PDB.Residue.Residue

Return type:

array-like