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Release_2021_03
rdkit/Code/GraphMol/DistGeomHelpers
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Greg Landrum f23fa85b55 Fixes #4346 : trans bonds are now properly honored in macrocycles (#4355)
* remove some compile warnings

* Fixes #4346
2021-08-24 06:23:59 +02:00
..
test_data
DistanceGeometry: add flag to enforce trans amides (#3794)
2021-03-01 13:26:28 +01:00
Wrap
DistanceGeometry: add flag to enforce trans amides (#3794)
2021-03-01 13:26:28 +01:00
BoundsMatrixBuilder.cpp
Fixes #4346 : trans bonds are now properly honored in macrocycles (#4355)
2021-08-24 06:23:59 +02:00
BoundsMatrixBuilder.h
DistanceGeometry: add flag to enforce trans amides (#3794)
2021-03-01 13:26:28 +01:00
catch_tests.cpp
Fixes #4346 : trans bonds are now properly honored in macrocycles (#4355)
2021-08-24 06:23:59 +02:00
CMakeLists.txt
revised version of #3894 (#3903)
2021-03-09 17:38:06 +01:00
Embedder.cpp
Fixes #4346 : trans bonds are now properly honored in macrocycles (#4355)
2021-08-24 06:23:59 +02:00
Embedder.h
DistanceGeometry: add flag to enforce trans amides (#3794)
2021-03-01 13:26:28 +01:00
testDgeomHelpers.cpp
Cleanup some problems found during an ASAN build (#4054)
2021-05-12 08:48:15 +02:00
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