schrodinger.structutils.residue module¶
- schrodinger.structutils.residue.get_residues_between(res1: schrodinger.structure._structure.Residue, res2: schrodinger.structure._structure.Residue) list ¶
Returns a list of
structure._Residue
objects between (and including) the specified residues by order of connectivity according to N->C orderNote that residues must belong to the same chain and have the same molecule number, i.e., be really connected.
- Parameters
res1 – One of the residues in a connected sequence of residues
res2 – The other residue in a connected sequence of residues
- Raises
ValueError – Residues must belong to the same chain and have the same molecule number
- Returns
The residues from one of the specified residues to the other, in N->C order.
- schrodinger.structutils.residue.get_residues_containing_atoms(st, atoms)¶
Return a list of residues (Residue objects) that contain the given atoms in the structure.
- Parameters
st (schrodinger.structure.Structure) – Structure containing the atoms
atoms (iterable or sequence of ints) – Atoms to get residues for.
- Returns
List of residues.
- Return type
list(structure.Residue)