Greg Landrum 8c3d698472 remove some compiler warnings

2015-03-22 18:13:58 +01:00

..

test_data

add getO3AForProbeConfs()

2015-03-12 06:10:23 +01:00

Wrap

Support releasing the GIL during some of the longer operations we just sped up.

2015-03-15 05:20:30 +01:00

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

add getO3AForProbeConfs()

2015-03-12 06:10:23 +01:00

O3AAlignMolecules.h

add getO3AForProbeConfs()

2015-03-12 06:10:23 +01:00

test_list.py

now all tests pass here as well

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

testMolAlign.cpp

remove some compiler warnings

2015-03-22 18:13:58 +01:00