francesca vitalini wrote:
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


You need to use "export" for bash; "setenv" is for csh.

export DSSP=/opt/dssp/bin/dssp

-Justin

--
========================================

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

========================================
--
gmx-users mailing list    [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Reply via email to