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e5c4e876331043f6d4ee26d6f04e09cc0fde4482
rdkit
/
Code
/
GraphMol
/
ForceFieldHelpers
History
Greg Landrum
e5c4e87633
Revert "ConfGen: Macrocycle torsion terms not being used with fused macrocycles (
#3894
)" (
#3902
)
...
This reverts commit
971e195b5b
.
2021-03-09 14:41:43 +01:00
..
CrystalFF
Revert "ConfGen: Macrocycle torsion terms not being used with fused macrocycles (
#3894
)" (
#3902
)
2021-03-09 14:41:43 +01:00
MMFF
Issue a warning when embedding a molecule with no Hs (
#3807
)
2021-02-22 06:57:50 +01:00
UFF
Issue a warning when embedding a molecule with no Hs (
#3807
)
2021-02-22 06:57:50 +01:00
Wrap
Address build warnings (
#3082
)
2020-04-17 14:40:15 +02:00
CMakeLists.txt
switch to using target_compile_definitions instead of add_definitions (
#3350
)
2020-08-21 04:49:07 +02:00
FFConvenience.h
Change line ending from CR+LF to LF [ci skip]
2019-10-21 11:39:25 +09:00
