Re: [gmx-users] getting dssp executable

2012-02-17 Thread francesca vitalini
Thanks. I was mislead by the syntax in the online reference and forgot to change everything into bash scripting. You have been very very helpful! 2012/2/17 Justin A. Lemkul : > > > francesca vitalini wrote: >> >> export DSSP /home/cocktail/vitalini/gromacs_special/bin/dssp >> > > You forgot an '=

Re: [gmx-users] getting dssp executable

2012-02-17 Thread Justin A. Lemkul
francesca vitalini wrote: export DSSP /home/cocktail/vitalini/gromacs_special/bin/dssp You forgot an '=' sign in the variable assignment. export DSSP=/home/... -Justin 2012/2/17 Justin A. Lemkul : francesca vitalini wrote: Thanks! However now I jet another error -bash: export: `/home/

Re: [gmx-users] getting dssp executable

2012-02-17 Thread francesca vitalini
export DSSP /home/cocktail/vitalini/gromacs_special/bin/dssp 2012/2/17 Justin A. Lemkul : > > > francesca vitalini wrote: >> >> Thanks! >> However now I jet another error >> -bash: export: `/home/cocktail/vitalini/gromacs_special/bin/dssp': not >> a valid identifier >> even though the path is corr

Re: [gmx-users] getting dssp executable

2012-02-17 Thread Justin A. Lemkul
francesca vitalini wrote: Thanks! However now I jet another error -bash: export: `/home/cocktail/vitalini/gromacs_special/bin/dssp': not a valid identifier even though the path is correct and I have saved the binary file that I downloaded with the name dssp. Do you kno if after downloading I ha

Re: [gmx-users] getting dssp executable

2012-02-17 Thread francesca vitalini
Thanks! However now I jet another error -bash: export: `/home/cocktail/vitalini/gromacs_special/bin/dssp': not a valid identifier even though the path is correct and I have saved the binary file that I downloaded with the name dssp. Do you kno if after downloading I have to do anything with the bi

Re: [gmx-users] getting dssp executable

2012-02-17 Thread Justin A. Lemkul
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/b

[gmx-users] getting dssp executable

2012-02-17 Thread francesca vitalini
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 s