[gmx-users] Installing DSSP

[Mark Abraham]

Hi,

On Fri, Feb 3, 2017 at 7:52 AM soumadwip ghosh <soumadwipghosh at gmail.com>
wrote:

> Hello all,
>
> I am trying to install dssp in centos 7 for determining the secondary
> structure of a protein in combination with do_dssp. These are the steps I
> followed:
>
> 1. installation directory : /opt/apps/dssp/dssp-2.2.1/
>
> 2. but there is no dssp executable in the dssp-2.2.1 directory
>
> 3. however there was a dssp.o file in the obj directory of dssp-2.2.1
>
> 4. we renamed the dssp.o file to dssp and moved it to dssp-2.2.1 directory
>

That cannot possibly work. Please make sure you are following the dssp
installation instructions.

Mark


> 5. ln -s /opt/apps/dssp/dssp2.2.1/dssp /usr/local/bin/
>
> 6. export dssp=/usr/local/bin/dssp
>
>
>
> but inspite of executing the above steps, when we run the do_dssp command
> we get
> the following error : Fatal error: DSSP executable
> (usr/local/bin/dssp/dssp) does
> not exist (use setenv DSSP)
>
> PS. we are using bash
>
>
> I have read various threads on the errors related to do_dssp but could
> not find a solution.
>
> Any kind of help would be appreciated.
>
>
> Best,
>
> Soumadwip Ghosh
>
> Research Associate
>
> Indian Institute of Technology Bombay
>
> India
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