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Releases: MDAnalysis/RotamerConvolveMD

Release 1.3.2

12 Jul 05:40
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Fix for installation only

Release 1.3.1

08 Jul 22:46
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bugfix and prettier docs

Release 1.3.0

31 May 19:14
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Compatibility with MDAnalysis >= 0.16.2, works with Python 2 and 3, and has new features (PRE, use NO-electrons).

Release 1.2.0

24 May 18:35
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RotamerConvolveMD is again compatible with modern versions of MDAnalysis, namely release ≥0.11.0.

Additional output files are now produced that help in validating the results. The code was also cleaned up internally. In addition to standard python packages from https://pypi.python.org/pypi/RotamerConvolveMD/, we now also make Conda packages available from https://anaconda.org/MDAnalysis/

RotamerConvolveMD 1.1

05 Aug 04:45
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RotamerConvolve script together with supporting files (rotcon module) and MTSL library. The code is the same as in the 1.0 release and only links the documentation changed.

RotamerConvolveMD 1.0

05 Aug 04:51
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Original release of rotamer convolve code used in the Stelzl et al, J Mol Biol 2014 paper.