schrodinger.structutils.interactions.protein_protein_interactions module¶
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schrodinger.structutils.interactions.protein_protein_interactions.
get_interface_atoms
(structs, cutoff=300, 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: Returns: a list of interface atoms that belong to chains with more than cutoff residues