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rdkit/Code/GraphMol/ChemTransforms
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Gareth Jones e6cf9e7768 RGD and Stereo Groups (#6247) 
* Copy stereo group information to RGroups and Core

* Fix pointer alignment formatting issues

* Created details::copyStereoGroups
2023-04-01 07:58:52 +02:00
..
testData
initial support for reading query files. Python wrapper still needs to be done.
2012-12-17 10:28:35 +00:00
catch_tests.cpp
Fixes #6034 (#6035)
2023-02-02 05:00:47 +01:00
ChemTransforms.cpp
RGD and Stereo Groups (#6247)
2023-04-01 07:58:52 +02:00
ChemTransforms.h
RGD and Stereo Groups (#6247)
2023-04-01 07:58:52 +02:00
CMakeLists.txt
Add depiction coordinates to molzip (#5993)
2023-01-28 04:46:39 +01:00
MolFragmenter.cpp
Fixes #6034 (#6035)
2023-02-02 05:00:47 +01:00
MolFragmenter.h
Add depiction coordinates to molzip (#5993)
2023-01-28 04:46:39 +01:00
testChemTransforms.cpp
RGD - a fix for the cubane issue (single target atom matches 2 user R group attachments) (#4002)
2021-05-23 15:16:03 -04:00