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Searched
+path:graphmol +path:forcefieldhelpers
(Results
1 – 25
of
53
) sorted by relevance
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/
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A
D
FFConvenience.h
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
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A
D
MMFF.h
H
A
D
testMMFFHelpers.cpp
H
A
D
AtomTyper.cpp
H
A
D
Builder.cpp
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A
D
AtomTyper.h
H
A
D
Builder.h
H
A
D
testMultiThread.cpp
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/CrystalFF/
H
A
D
TorsionPreferences.h
H
A
D
torsionPreferences_macrocycles.in
H
A
D
TorsionAngleM6.h
H
A
D
TorsionPreferences.cpp
H
A
D
testCrystalFF.cpp
H
A
D
torsionPreferences_smallrings.in
H
A
D
torsionPreferences_v1.in
H
A
D
torsionPreferences_v2.in
H
A
D
TorsionAngleM6.cpp
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/UFF/
H
A
D
AtomTyper.cpp
H
A
D
UFF.h
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A
D
AtomTyper.h
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A
D
Builder.cpp
H
A
D
Builder.h
H
A
D
testUFFHelpers.cpp
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/Wrap/
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A
D
rdForceFields.cpp
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A
D
testHelpers.py
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