OESetAnisouΒΆ
void OESetAnisou(OEAtomBase *atom, const OEAnisoUij &uij)
void OESetAnisou(OEAtomBase *atom, int u11, int u22, int u33,
int u12, int u13, int u23)
This function is used to set the anisotropic B-factor parameters associated
with an OEAtomBase
.
The form that uses a OEAnisoUij
accesses the data
packaged within the object.
See also