[gmx-developers] Printing the resname in g_sas

[Ilya Chorny]

thanks its *atoms->resname[i], but I still can't figure out how its indexed.
Its printing the names but not the correct ones.
Ilya


On Tue, Jul 14, 2009 at 12:12 AM, Berk Hess <hess at cbr.su.se> wrote:

> 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:
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> > --
> > Ilya Chorny Ph.D.
> >
> > ------------------------------------------------------------------------
> >
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-- 
Ilya Chorny Ph.D.
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