OESetRotamerΒΆ
bool OESetRotamer(OEHierResidue &residue, const OERotamer &rotamer)
bool OESetRotamer(OEAtomBase &atom, const OERotamer &rotamer)
Sets the \(\chi\) angles for the atoms in the specified residue.
The angels 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
).
See also
OERotamer
classOEGetRotamers
function