rdkit

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Files

Paolo Tosco 6655a694f5 There is no need to enforce that (i, j) and (k, l) be bonded when setting a i, j, k, l dihedral (#1673 )

* - there is no need to enforce that (i, j) and (k, l) be bonded
  when setting a i, j, k, l dihedral

* - added unit tests for PR #1673

2017-12-01 12:37:57 +00:00

Fix/github1262 (#1265 )

2017-01-22 05:49:52 +01:00

initial import

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

2017-12-01 12:37:57 +00:00

CMakeLists.txt

2010-09-04 14:07:22 +00:00

MolTransforms.cpp

2017-12-01 12:37:57 +00:00

MolTransforms.h

Fix/github1262 (#1265 )

2017-01-22 05:49:52 +01:00

ReadMe

initial import

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

test1.cpp

2017-12-01 12:37:57 +00:00

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.