[gmx-developers] Printing the resname in g_sas

[Berk Hess]

Hi,

Search for resname in for instance src/gmxlib/pdbio.c

Berk

Ilya Chorny wrote:
> I did, but its still not clear. 
>
> On Mon, Jul 13, 2009 at 11:57 PM, David van der Spoel
> <spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>> wrote:
>
>     Ilya Chorny wrote:
>
>         I would like g_sas to print the resname in addition to the
>         residue number for the -or output.
>         How do I print the residue name?
>
>         g_sas has a t_atoms structure called atoms( i.e.t_atoms
>         *atoms). &atoms[i].resname should print the residue name
>         associated with atom i, correct. I can't seem to get it to
>         work. I'm fairly new to editing gromacs code so I apologize
>         for my naivety.
>
>     check include/types/atoms.h
>     it is quite complicated unfortunately.
>
>
>
>         Thanks,
>
>         Ilya
>
>
>
>         -- 
>         Ilya Chorny Ph.D.
>
>
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>
>     -- 
>     David van der Spoel, Ph.D., Professor of Biology
>     Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala
>     University.
>     Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205. Fax:
>     +4618511755.
>     spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>  
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>
> -- 
> Ilya Chorny Ph.D.
>
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