[gmx-users] sas and index files

David van der Spoel spoel at xray.bmc.uu.se
Wed Nov 17 12:02:06 CET 2004


On Wed, 2004-11-17 at 01:26 -0800, Aswin Narain wrote:
> Hii all
> 
> If i run g_sas with an index file representing some
> portion of the molecule then does the program
> calculate the area of thie portion defined by the
> index file as a separate entity or in the context of
> the whole protein?
> 
> If it takes the portion separately and calculates the
> sas (without considering the rest of the protein) then
> how do i calculate the area contributed by this porion
> alone to the entire molecule?
check the mailing list for recent changes. the  only correct version for
computing partial areas is probably the CVS version
> 
> thanx
> rgds
> aswin
> 
> =====
>  Aswin Sai Narain. S
> Student
> Centre for Biotechnology
> Anna University
> Chennai 25
> Residence
> 20, 3rd main road
> Nanganallur
> Chennai 61
> 
> 
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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