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rdkit
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088256bfb13d14f998f6325669c2cfbabc498308
rdkit
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Geometry
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Paolo Tosco
2b3a818f84
- removed the dependency on Trajectory from ROMol and ForceField
2016-05-11 19:37:09 +01:00
..
CMakeLists.txt
- initial work to put the Trajectory code into a separate object
2016-05-09 19:05:15 +01:00
Point.cpp
first pass, using google style
2015-11-14 14:58:11 +01:00
rdGeometry.cpp
- removed the dependency on Trajectory from ROMol and ForceField
2016-05-11 19:37:09 +01:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
testGeometry.py
- initial work to put the Trajectory code into a separate object
2016-05-09 19:05:15 +01:00
UniformGrid3D.cpp
first pass, using google style
2015-11-14 14:58:11 +01:00