schrodinger.structutils.interactions.protein_protein_interactions module¶
- schrodinger.structutils.interactions.protein_protein_interactions.get_interface_atoms(structs, dist=4.5)¶
Returns a list of protein interface atoms found in specified structures
Protein interface atoms are atoms close to an atom in a different chain, whether the same protein or not. All atoms in a residues are included if any atom in it meets this criterion.
- Parameters
structs (list[schrodinger.structure.Structure]) – list of structures to examine
cutoff – The minimum number of atoms in the chain to be considered
cutoff – int
dist (float) – The distance used in the definition of “close”
- Return type
list[schrodinger.structure._StructureAtom]
- Returns
a list of interface atoms that belong to chains with more than cutoff residues
- schrodinger.structutils.interactions.protein_protein_interactions.get_close_residues_asl(group_asl, dist=4.5)¶
Returns an ASL that represents protein residues close to the given group ASL and are not part of the given group ASL.
- Parameters
group_asl (str) – the group ASL to create this new ASL from
dist (float) – The distance used in the definition of “close”
- Returns
an ASL for close residues to the given chain