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853445826b594a73d4ec558596ae19b5209529fd
rdkit/Code/GraphMol/DistGeomHelpers
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Greg Landrum 853445826b Fix a UFF bug (#2875)
2020-01-17 16:03:20 +01:00
..
test_data
Vdv radii from blue obelisk (#2154)
2019-05-29 09:23:27 +02:00
Wrap
Fix a UFF bug (#2875)
2020-01-17 16:03:20 +01:00
BoundsMatrixBuilder.cpp
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
BoundsMatrixBuilder.h
Fix for github #2800 (#2828)
2019-12-10 06:12:53 +01:00
CMakeLists.txt
Fixes #2516 (#2519)
2019-06-28 09:57:00 -04:00
Embedder.cpp
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
Embedder.h
Allow providing a bounds matrix to EmbedMol (#2560)
2019-07-30 06:43:42 -04:00
testDgeomHelpers.cpp
Allow providing a bounds matrix to EmbedMol (#2560)
2019-07-30 06:43:42 -04:00