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CHANGELOG
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==============================
RotamerConvolveMD CHANGELOG
==============================
The rules for this file:
* entries are sorted newest-first.
* summarize sets of changes - don't reproduce every commit log comment here.
* don't ever delete anything.
* keep the format consistent (79 char width, M/D/Y date format) and do not
use tabs but use spaces for formatting
------------------------------------------------------------------------------
07/11/2020 orbeckst
* 1.3.2
- fix installation issue that made 1.3.2 fail installation
(versioneer.py was not included) (issue #37)
07/08/2020 orbeckst, lilyminium
* 1.3.1
- fix library.find_file (issue #32)
- changed online docs theme (issue #35)
05/31/2017 katrinr, orbeckst
* 1.3.0
- compatible with MDAnalysis 0.16.2, which is now the required version
(Issue #20)
- new script 'convolve-mtss-rotamers_pre.py' for analysis of
paramagnetic relaxation enhancement (PRE) experiments (PR #12)
- added --no-plot flag to suppress PDF output from scripts (requested
in issue #19)
- updated MTSSL rotamer library in 2017 (default), rotamer library
from 2011 can be chosen by defining the library name (--libname)
05/24/2016 kain88-de, philipwfowler, orbeckst, katrinr
* 1.2.0
- compatible with MDAnalysis >= 0.11.0 (issue #2)
- code and library clean-up (removed superfluous duplicated
initial frame, see issue #6)
- additional output files: distance histograms and ensemble of
all non-clashing rotamers (PR #5)
- contact information updated
- use semantic versioning for release numbering
(http://semver.org)
- conda package at https://anaconda.org/MDAnalysis
04/07/2015 orbeckst, seb-buch
* 1.1
- code to conform to PEP8
- meta data: link updates
- split off from MDAnalysis repository
01/15/15 philipwfowler, orbeckst, alejob
* 1.0
- initial release
- includes Gunnar Jeschke's rotamers for MTSSL at 298 K
- used for work published in Stelzl et al, J Mol Biol 426 (2016), 735