[gmx-users] ss.xpm file: chain separator location? first residue showing first, or last residue showing first?
ZHANG Cheng
272699575 at qq.com
Fri Mar 30 18:16:15 CEST 2018
Dear Gromacs,
(Sorry I post this again as I have not got confirmed answer yet)
In the ss.xpm file for secondary structures, can I ask if the first residue shows first, or last residue shows first? I could not find the description in the file.
I also have a chain separator. Can I ask does it show in the beginning or between the two chains?
(Sorry, I asked this question about chain separator before. But if the last residue shows first, it is possible that the chain separator is between the two chains. But I really want to confirm that. Or how can I get contact with the author who wrote the "gmx do_dssp"?)
I found the original post for the source code at
http://repo.or.cz/gromacs.git/commit/5e4dd0a15de15237ec34ac287dca8e0aa01adb40
Can I ask how to use the "repo.or.cz" website? I am not sure how to register it.
I also emailed the author Carsten, but have not got reply.
Thank you.
Yours sincerely
Cheng
First a few lines:
-------------------------------------------------------
/* XPM */
/* Created by: */
/* :-) GROMACS - gmx do_dssp, VERSION 5.1.1 (-: */
/* */
/* Executable: /shared/ucl/apps/gromacs/5.1.1/intel-2015-update2/bin//gmx */
/* Data prefix: /shared/ucl/apps/gromacs/5.1.1/intel-2015-update2 */
/* Command line: */
/* gmx do_dssp -f md_0_1_noPBC.xtc -s md_0_1.tpr -ssdump ssdump.dat -map ss.map -o ss.xpm -sc scount.xvg -a area.xpm -ta totarea.xvg -aa averarea.xvg -tu ns */
/* This file can be converted to EPS by the GROMACS program xpm2ps */
/* title: "Secondary structure" */
/* legend: "" */
/* x-label: "Time (ns)" */
/* y-label: "Residue" */
/* type: "Discrete" */
static char *gromacs_xpm[] = {
"1064 443 8 1",
"~ c #FFFFFF " /* "Coil" */,
"E c #FF0000 " /* "B-Sheet" */,
"B c #000000 " /* "B-Bridge" */,
"S c #00CCCC " /* "Bend" */,
"T c #FFFF00 " /* "Turn" */,
"H c #0000FF " /* "A-Helix" */,
"G c #FF00FF " /* "3-Helix" */,
"I c #FF9900 " /* "5-Helix" */,
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