Re: [gmx-users] residue labeling in g_rmsf

2013-05-24 Thread Tsjerk Wassenaar
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 a

Re: [gmx-users] residue labeling in g_rmsf

2013-05-23 Thread Justin Lemkul
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 n

[gmx-users] residue labeling in g_rmsf

2013-05-23 Thread Arunima Shilpi
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 -- Thanking You with Regards. Arunima Shilpi Ph. D Research Scholar(Cancer & Epigenetics) Department of Li