[gmx-users] Plotting B-factor

[Kukol, Andreas]

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: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Alif M Latif
Sent: 02 May 2008 09:42
To: gmx-users at gromacs.org
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


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