Greg Landrum 2114db0941 Fixes #204 ...

This covers at least the specific instances from the bug report.
Still need to figure out a general way to identify these automatically
to make sure all are fixed.

2014-02-05 06:38:05 +01:00

..

MMFF

- modified Code/GraphMol/AddHs.cpp so that hydrogens are not

2014-02-01 13:05:10 +01:00

UFF

complete merge

2013-12-03 05:24:58 +01:00

Wrap

- Fixed a bug in Code/GraphMol/MolAlign/testMolAlign.cpp which caused

2014-01-24 14:20:34 +01:00

CMakeLists.txt

- added relative DistanceConstraints (i.e., +/- with respect

2013-12-02 19:58:29 +01:00

Contrib.h

update copyright statements

2010-09-26 17:04:37 +00:00

ForceField.cpp

Fixes #204

2014-02-05 06:38:05 +01:00

ForceField.h

update copyright statements

2010-09-26 17:04:37 +00:00