Greg Landrum ec8e637ecd add option to use sequential random seeds in the conformer generator (#6639)

2023-08-19 19:19:56 +02:00

..

test_data

DistanceGeometry: add flag to enforce trans amides (#3794)

2021-03-01 13:26:28 +01:00

Wrap

add option to use sequential random seeds in the conformer generator (#6639)

2023-08-19 19:19:56 +02:00

BoundsMatrixBuilder.cpp

Fixes #5145 (#6379)

2023-05-23 17:36:27 +02:00

BoundsMatrixBuilder.h

a few doxygen comment fixes (#4368)

2021-08-09 04:58:01 +02:00

catch_tests.cpp

add option to use sequential random seeds in the conformer generator (#6639)

2023-08-19 19:19:56 +02:00

CMakeLists.txt

make the catch tests build faster (#5284)

2022-05-17 04:39:33 +02:00

Embedder.cpp

add option to use sequential random seeds in the conformer generator (#6639)

2023-08-19 19:19:56 +02:00

Embedder.h

add option to use sequential random seeds in the conformer generator (#6639)

2023-08-19 19:19:56 +02:00

EmbedderUtils.cpp

add option to use sequential random seeds in the conformer generator (#6639)

2023-08-19 19:19:56 +02:00

testDgeomHelpers.cpp

Allow the sources of conformer generation failures to be retrieved (#5960)

2023-01-24 18:09:15 +01:00