[gmx-developers] Printing the resname in g_sas

David van der Spoel spoel at xray.bmc.uu.se
Tue Jul 14 08:57:07 CEST 2009

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	spoel at gromacs.org   http://folding.bmc.uu.se

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