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nomad-lab
pymolfile
Commits
pymolfile
11 Oct, 2017
2 commits
Added plugin list
· 77a9bcec
Berk Onat
authored
Oct 11, 2017
77a9bcec
Cleaning only the python part of the package
· 08510612
Berk Onat
authored
Oct 11, 2017
08510612
09 Oct, 2017
1 commit
Now pymolfile read coordinates
· f50aaa49
Berk Onat
authored
Oct 09, 2017
f50aaa49
06 Oct, 2017
1 commit
Added bonds, angles, dihedrals
· aed8364e
Berk Onat
authored
Oct 06, 2017
aed8364e
05 Oct, 2017
2 commits
molfile_plugin libraries are compiled with GCC on MacOS
· f2259af4
Berk Onat
authored
Oct 05, 2017
f2259af4
Corrected read_structure numpy
· 3b405c2e
Berk Onat
authored
Oct 05, 2017
3b405c2e
04 Oct, 2017
1 commit
Changed C API Numpy library to directly access molfile structure data
· 034da510
Berk Onat
authored
Oct 04, 2017
034da510
20 Sep, 2017
1 commit
Added Numpy example wrapper for molfile_atom_t
· 672baac3
Berk Onat
authored
Sep 20, 2017
672baac3
14 Sep, 2017
3 commits
Add License to distribution
· c013427c
Berk Onat
authored
Sep 14, 2017
c013427c
Added test data
· fe5b8df2
Berk Onat
authored
Sep 14, 2017
fe5b8df2
Add libpymolfile.i SWIG file
· f4390cb5
Berk Onat
authored
Sep 14, 2017
f4390cb5
08 Sep, 2017
2 commits
Start over from f77_molfile interface
· d15ddd33
Berk Onat
authored
Sep 08, 2017
d15ddd33
Initial commit
· f6ed12e9
Berk Onat
authored
Sep 08, 2017
f6ed12e9