Plese see http://github.com/resal81/pytopol
History
0.1.6 (2013-09-23)
Gromacs topology parsing functionality.
0.1.5 (2013-09-17)
Added test results for both single- and double-precision of Gromacs.
Now reads CHARMM stream files
Includes a simple mechanism to check if updates are available.
Reorganized the documentation and started the wiki on the github repo.
0.1.4 (2013-09-17)
Faster pair generation
Switch to gromacs 4.6.3-double for tests
Fixed a bug for multi-chain systems
0.1.3 (2013-09-16)
The conversion part was rewritten to make it more flexible.
Cholestrol test is now passed.
0.1.2 (2013-09-15)
NBFIX section is now parsed. So the results for molecules with NBFIX parameters such as cholesterol, match better between NAMD and GROMACS.
0.1.1 (2013-09-02)
Updates to Readme and License.
0.1.0 (2013-08-25)
First release on PyPI.
1 maintainer
Metadata
1 maintainer
Release files for pytopol 0.1.7
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Source distribution (sdist)
| File | Size | Uploaded | |
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| pytopol-0.1.7.tar.gz | 36.9 kB | Details |
Release files / pytopol-0.1.7.tar.gz
| Download URL | pytopol-0.1.7.tar.gz |
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| Size | 36.9 kB |
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