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 order

Note 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)