Use the -res option for g_rmsf to calculate the average for each residue. But beware: the experimental B-factor is defined for atoms.
Andreas >>>>>>> From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Alif M Latif Sent: 02 May 2008 09:42 To: [email protected] Subject: [gmx-users] Plotting B-factor Dear GROMACS users and developers, I want to plot B-factor of a protein structure against residue. How can I do that?. Using option -oq in g_rmsf only produce bfac.pdb which is in .pdb file and assigned at each atom. Is there another way I can get the plot B-factor vs residue?. Any link to example or tutorial will be very helpful. Comments and Suggestions are greatly appreciated. Thank you. Muhammad Alif Mohammad Latif Department of Chemistry Faculty of Science Universiti Putra Malaysia 43400 UPM Serdang, Selangor MALAYSIA ________________________________________ Be a better friend, newshound, and know-it-all with Yahoo! Mobile. Try it now. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
