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nomad-lab
pymolfile
Commits
1cb697ce
Commit
1cb697ce
authored
6 years ago
by
Berk Onat
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Update to version 0.0.6
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8bda178a
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README.md
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1cb697ce
# pymolfile
# pymolfile
#### Version: 0.0.6
*
TNG library links are fixed in CMake compile.
#### Version: 0.0.5
*
Fixed bugs in MolfileOpen class.
#### Version: 0.0.4
#### Version: 0.0.4
What is new?
*
Secure the file opens/closes on reader by OpenMolTraj class using 'with'. This provides a stable recall of PyMolfile in series of files.
*
Secure the file opens/closes on reader by OpenMolTraj class using 'with'. This provides a stable recall of PyMolfile in series of files.
*
Silence all core plugins in molfile_plugins folder at CMake level. This is the default setting now.
*
Silence all core plugins in molfile_plugins folder at CMake level. This is the default setting now.
*
Bug fixed on recursive initialiation of OpenMolFile on trajectory reads. It is safe now to have concurrent multiple calls from MDDataAccess.
*
Bug fixed on recursive initialiation of OpenMolFile on trajectory reads. It is safe now to have concurrent multiple calls from MDDataAccess.
...
@@ -29,12 +34,12 @@ please see <http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/>
...
@@ -29,12 +34,12 @@ please see <http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/>
### Dependencies:
### Dependencies:
*
numpy
*
numpy
*
cmake >
2.8
.1
2
*
cmake >
3
.1
*
swig >3.0
*
swig >3.0
*
tng_io (installs with pymolfile setup)
*
tng_io (installs with pymolfile setup)
*
NetCDF
*
NetCDF
(Optional but recomended for full experience)
*
Expat
*
Expat
*
Babel (Optional)
*
Babel (Optional
but recomended for full experience
)
*
Tcl/Tk >8.5 (Optional)
*
Tcl/Tk >8.5 (Optional)
### Download:
### Download:
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