Releases: MDAnalysis/RotamerConvolveMD
Release 1.3.2
Fix for installation only
Release 1.3.1
bugfix and prettier docs
Release 1.3.0
Compatibility with MDAnalysis >= 0.16.2, works with Python 2 and 3, and has new features (PRE, use NO-electrons).
Release 1.2.0
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
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
Original release of rotamer convolve code used in the Stelzl et al, J Mol Biol 2014 paper.