rdkit

mirror of https://github.com/rdkit/rdkit.git synced 2026-06-04 21:54:27 +08:00

Files

Greg Landrum 2738c35178 Fixes #1903 (#1971 )

* Fixes #1903

* update SWIG bindings too

2018-07-25 09:14:17 +02:00

Fixes #1908 (#1912 )

2018-06-14 18:40:10 -04:00

initial import

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

2018-05-16 08:42:41 +02:00

CMakeLists.txt

2018-05-16 08:42:41 +02:00

MolTransforms.cpp

Fixes #1908 (#1912 )

2018-06-14 18:40:10 -04:00

MolTransforms.h

Fixes #1903 (#1971 )

2018-07-25 09:14:17 +02:00

ReadMe

initial import

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

test1.cpp

Fixes #1908 (#1912 )

2018-06-14 18:40:10 -04:00

test_list.py

Issue1071/yapf (#1078 )

2016-09-23 04:58:46 +02:00

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