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9c77556bf338f33cf897100c9a1f06db07d136ab
rdkit
/
Code
/
GraphMol
/
ChemTransforms
History
Ric
57a1ba473b
Fixes
#6034
(
#6035
)
...
* fix + test * move updatePropertyCache call into fragmentOnBonds
2023-02-02 05:00:47 +01:00
..
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
Bug/github5613 (
#5735
)
2022-12-16 05:36:49 +01:00
ChemTransforms.h
Bug/github5613 (
#5735
)
2022-12-16 05:36:49 +01:00
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
