OESetRotamer

OESetRotamer(residue: OEHierResidue, rotamer: OERotamer) -> bool
OESetRotamer(atom: OEAtomBase, rotamer: OERotamer) -> bool

Sets the \(\chi\) angles for the atoms in the specified residue. The angles are defined in the OERotamer object while the residue is specified either by an OEHierResidue object or by one of the atoms of the residue (OEAtomBase). The molecule must have 3D coordinates assigned; side-chain atoms are moved in 3D space to match the requested rotamer conformation.

See also

• OERotamer class

• OEGetRotamers function