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802ea89ea792d60beba276cb9098983e8a3cbbdb
rdkit
/
Code
/
GraphMol
/
DistGeomHelpers
History
hjuinj
666df68e5b
correct handling of amide distances for macrocycles (
#3559
)
...
* patch correct handling of amide distances for macrocycles * higher delta for test
2020-11-24 05:03:00 +01:00
..
test_data
Improve Conformational Sampling of Small and Large Ring Molecules (
#2999
)
2020-03-23 14:57:46 +01:00
Wrap
correct handling of amide distances for macrocycles (
#3559
)
2020-11-24 05:03:00 +01:00
BoundsMatrixBuilder.cpp
correct handling of amide distances for macrocycles (
#3559
)
2020-11-24 05:03:00 +01:00
BoundsMatrixBuilder.h
Improve Conformational Sampling of Small and Large Ring Molecules (
#2999
)
2020-03-23 14:57:46 +01:00
CMakeLists.txt
switch to using target_compile_definitions instead of add_definitions (
#3350
)
2020-08-21 04:49:07 +02:00
Embedder.cpp
Cleanup warnings from clang-10 (
#3238
)
2020-06-19 17:16:22 -04:00
Embedder.h
clang-tidy modernize-use-default-member-init and modernize-use-emplace (
#3190
)
2020-05-28 09:07:58 +02:00
testDgeomHelpers.cpp
Modernize deprecated header inclusion (
#3137
)
2020-05-04 10:40:57 +02:00
