rdkit

pub_soft/rdkit

mirror of https://github.com/rdkit/rdkit.git synced 2026-06-05 22:04:27 +08:00

Files

History

Greg Landrum 9727cffa61 make python wrappers and tests optional

2010-01-22 11:22:58 +00:00

initial import

2006-05-06 22:20:08 +00:00

initial import

2006-05-06 22:20:08 +00:00

2010-01-22 11:22:58 +00:00

CMakeLists.txt

2009-10-01 13:35:48 +00:00

Jamfile

2009-10-31 06:09:20 +00:00

MolTransforms.cpp

2008-06-26 05:50:24 +00:00

MolTransforms.h

initial import

2006-05-06 22:20:08 +00:00

ReadMe

initial import

2006-05-06 22:20:08 +00:00

test1.cpp

2006-05-06 22:54:39 +00:00

test_list.py

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

These are files for doing geometric transformations (rotation,
scaling, etc.) on molecules.