[gmx-users] dssp install problems

Justin A. Lemkul jalemkul at vt.edu
Fri Apr 3 19:57:17 CEST 2009



KS Rotondi wrote:
> All, 
> 
> I've looked at the site and cannot figure this out, so apologies if this 
> is a painful often seen question. 
> 
> I'm trying to install dssp for use with do_dssp on an OSX.5 PPC system 
> with the following steps, in the dssp folder:
> 
> ./DsspCompileCC
> 
> cd..
> 
> sudo mv dssp /usr/local
> 
> cd /usr/local/bin
> 
> sudo ln -s /usr/local/dssp/dsspcmbi
> 
> Having done that I can type dsspcmbi in a terminal and run the dssp 
> program. However, running do_dssp returns
> 
> -------------------------------------------------------
> Program do_dssp, VERSION 4.0.4
> Source code file: do_dssp.c, line: 422
> 
> Fatal error:
> DSSP executable (/usr/local/bin/dssp) does not exist (use setenv DSSP)
> -------------------------------------------------------
> 
> My problem is compiling the dssp source does not return a 'dssp' file, 
> rather the 'dsspcmbi' executable, as advertised. I feel I'm missing a 
> minor last step and would appreciate any help.

Right, so rename the dsspcmbi executable dssp and move it /usr/local/bin, 
nothing fancy.  The other option is to export DSSP=/path/to/your/dssp

-Justin

> 
> Thanks, 
> 
> Ken
> 
> Dr. K.S. Rotondi
> Departments of Chemistry, BIochemistry and Molecular Biology
> 914G LGRT
> The University of Massachusetts - Amherst
> Amherst, MA 01003
> 
> "If there's a solution, why worry?, If there's no solution, why worry?"
> His Holiness, the Dalai Llama
> 
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



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