schrodinger.structutils.interactions.protein_protein_interactions module¶
- schrodinger.structutils.interactions.protein_protein_interactions.get_interface_atoms(structs, dist=4.5)[source]¶
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
- Returns
a list of interface atoms that belong to chains with more than cutoff residues