Releases: m3g/gscore
Releases · m3g/gscore
19.248
05 Sep 22:26
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19.024
24 Jan 20:06
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Changed version file to 19.024
returned gscore as default instead of wdegree
18.024
24 Jan 17:46
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Changed version file to 18.024
This version computes the Davis-QA-consensus as Wdegree (sumwdegree = x)
more on wdegree
removed fithist executable
added program to fit the histogram of pbias - but not ready
started implementing fithist
added alternatives to -log
added wdegree computed with -log, and normalized
changed wdegree to -log(x)
changed formula of wdegree to tan
changed formula of wdegree
added calculation of wdegree
added degree variable explicitly
16.354
19 Dec 19:31
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Changed version file to 16.354
writes gscore in kcal/mol besides degree
removed repeated title
simplified script to link to changelog
added change log to release.sh
added comment of git log in realease.sh
16.341
06 Dec 15:23
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Changed version file to 16.341
fixed bug in remove_path
added optional dcut parameter in checkconstraints
print file name
added checkconstraints code
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