[gmx-users] ss.xpm file: first residue showing first, or last residue showing first?

ZHANG Cheng 272699575 at qq.com
Wed Mar 28 16:01:44 CEST 2018


Dear Gromacs,
In the ss.xpm file for secondary structures, can I ask if the first residue shows first, or last residue shows first? Is this already written 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"?)


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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