Hi Arunima, In bash you can also combine the residue names and such with the RMSF graph:
paste <(grep "^\(ATOM\|HETATM\)" structure.pdb | cut -b 17-26 | uniq) <(grep "^[^#@]" rmsf.xvg) To make it a bit more clear, the redirection <( ... ) treats the output of the command between parentheses as an input file, so we paste the results from two commands. The first command extracts the atom residue and chain info and uniqifies, giving a list of residues. The second command strips the metadata fram the xvg file. Hope it helps, Tsjerk On Thu, May 23, 2013 at 1:52 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 5/23/13 6:51 AM, Arunima Shilpi wrote: > >> Respected Sir >> >> If i want my residue name to be labeled in the graph for g_rmsf ,how >> should I proceed... >> >> I used the following command >> >> g_rmsf -f md_0_1.xtc -s md_0_1.tpr -res -o rmsf.xvg >> >> > Add labels in your favorite plotting software. g_rmsf will not write > residue names. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- Tsjerk A. Wassenaar, Ph.D. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
