[gmx-users] Plotting B-factor

[Ran Friedman]

Dear Muhammad,

You can plot the rmsf per residue, and calculate the beta factor
yourself B = 8*PI^2*RMSF^2/3. Remember to convert from nm to A if you
want the same values as in the PDB.

Ran.

Alif M Latif wrote:
> 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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-- 
------------------------------------------------------
Ran Friedman
Postdoctoral Fellow
Computational Structural Biology Group (A. Caflisch)
Department of Biochemistry
University of Zurich
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
Tel. +41-44-6355593
Email: r.friedman at bioc.unizh.ch
Skype: ran.friedman
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