Greg Landrum 601650e663 variable rename

2014-08-06 03:25:08 +02:00

..

test_data

- implemented Open3DALIGN-like alignment functionality (from both

2013-09-29 17:03:14 +02:00

Wrap

fix the handling of the RMSlist optional argument

2014-08-06 03:01:28 +02:00

AlignMolecules.cpp

variable rename

2014-08-06 03:25:08 +02:00

AlignMolecules.h

Changes and additions for the calculation of the RMS between conformers

2014-08-05 14:46:14 +02:00

CMakeLists.txt

- Refactored the O3A code to allow for different cost, weight

2014-01-22 19:30:29 +01:00

O3AAlignMolecules.cpp

- removed a few spurious, though non harmful, "const" keywords from

2014-04-15 22:13:54 +01:00

O3AAlignMolecules.h

- removed a few spurious, though non harmful, "const" keywords from

2014-04-15 22:13:54 +01:00

test_list.py

now all tests pass here as well

2009-02-03 05:26:10 +00:00

testMolAlign.cpp

- removed a few spurious, though non harmful, "const" keywords from

2014-04-15 22:13:54 +01:00