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4.127 OERotate 

void OERotate(OEMolBase &mol, const double *m)
void OERotate(OEMolBase &mol, const float *m)
void OERotate(OEConfBaseT<float, 3> &conf, const double *m)
void OERotate(OEConfBaseT<float, 3> &conf, const float *m)
void OERotate(OEMCMolBaseT<float, 3> &mcmol, const double *m)
void OERotate(OEMCMolBaseT<float, 3> &mcmol, const float *m)

These functions rotate a molecule by the rotation matrix passed as the m argument. The rotation is defined as xyz' = m x xyz, where m is the rotation matrix, xyz is the original vector, and xyz' is the new vector. The overloads for OEConfBaseT and OECMMolBaseT are for efficiency.

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Previous: 4.126.3 Partial Molecule-Based OERMSD Up: 4. OEChem Functions Next: 4.128 OESameChain
Documentation released on July 30, 2004.