Bug #2120
gmx do_dssp scount.xvg labels a probability as percent when it is not
Description
The -sc scount.xvg output from gmx do_dssp in gmx version 5.1.2 has a final line listing
# SS % ...
when in fact the numbers sum to 1 and not 100. Since this has existed for a long time (see for example the pasted text from scount.xvg in https://redmine.gromacs.org/issues/683 ) it probably makes sense to stick with the probabilities byt change the comment from "# SS %" to "# SS prob."
Associated revisions
History
#1 Updated by Gerrit Code Review Bot almost 4 years ago
Gerrit received a related patchset '1' for Issue #2120.
Uploader: Mark Abraham (mark.j.abraham@gmail.com)
Change-Id: gromacs~release-2016~Ic3256a3942b2f2375e9f4c0771bbe3afe682acf4
Gerrit URL: https://gerrit.gromacs.org/6469
#2 Updated by Mark Abraham almost 4 years ago
- Category set to analysis tools
- Status changed from New to Fix uploaded
- Assignee set to Mark Abraham
- Target version set to 2016.3
Thanks for the report. I did something similar that honours the way things seem to be laid out to fit in 8-character width, so "pr." rather than "prob."
#3 Updated by Mark Abraham almost 4 years ago
- Status changed from Fix uploaded to Resolved
Applied in changeset 12e29c829e96353092ea7bdb37faf7f122f4e19a.
#4 Updated by Mark Abraham almost 4 years ago
- Status changed from Resolved to Closed
Corrected output of gmx do_dssp -sc
This code has always written a probability, and not a percentage, so
fixed the label. It still fits within the expected 8-character field.
Fixes #2120
Change-Id: Ic3256a3942b2f2375e9f4c0771bbe3afe682acf4