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