[gmx-users] B-factor

[Erik Marklund]

shahab shariati skrev:
> Hi all
>  
> excuse me for my past incomplete email.
>  
> I want to calculate B-factor using g_rmsf command as follows:
>
>  g_rmsf  -f  pr.xtc  -s  pr.tpr  -n  pr.ndx -oq
>  
> this command give me a pdb file whereas I want to obtain text file 
> (numeral value of B-factor ).
>  
> how to obtain B-factor value from this pdb file?
>  
> any help will highly appreciated.
Look in the b-factor field. See the reference for the pdb file format.

-- 
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://folding.bmc.uu.se/