rdkit/rdkit — pull request #126 by ptosco (2013-10-07 16:01:14+00:00)
Title: Critical bug fix in the MMFF stretch-bend gradient calculation

- fixed a bug in the MMFF stretch-bend gradient calculation
(when I converted the rad2deg() function into a simple RAD2DEG
coefficient I removed all parentheses, but in this case it was still
necessary!)
- put in better evidence the extents of the UFF hack so that it can be
easily commented out if required