[gmx-users] getting dssp executable
francesca vitalini
francesca.vitalini11 at gmail.com
Fri Feb 17 14:54:19 CET 2012
Dear all,
In order to get the secondary structure of my pdb file I need to run
the do_dssp program. When I try to run it however I get the following
error
Program do_dssp, VERSION 3.3.1
Source code file: do_dssp.c, line: 448
Fatal error:
DSSP executable (/usr/local/bin/dssp) does not exist (use setenv DSSP)
So I went to the http://swift.cmbi.ru.nl/gv/dssp/DSSP_5.html website
and downloaded the program. when then I try to settle the environment
variable
set an environment variable DSSP pointing to the dssp executable, e.g.:
setenv DSSP /opt/dssp/bin/dssp
then I get the following error message:
-bash: setenv: command not found
Any help?
Thanks
--
Francesca Vitalini
PhD student at Computational Molecular Biology Group,
Department of Mathematics and Informatics, FU-Berlin
Arnimallee 6 14195 Berlin
vitalini at zedat.fu-berlin.de
francesca.vitalini at fu-berlin.de
+49 3083875776
+49 3083875412
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