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" */, -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
