[gmx-users] How can i install DSSP for gromacs on centos6?

[Mark Abraham]

Hi,

Searching google would have been faster for you ;-) There's a few hundred
posts about how to get DSSP working with do_dssp. If you want to use such
an old version of GROMACS, you'll need to use an old version of DSSP,
because DSSP 2 changed how it accepts input and won't accept the old
version at all.

Mark

On Fri, May 22, 2015 at 10:09 AM Homa rooz <ha.roozbahany at gmail.com> wrote:

> Hi there
>
> I tried to execute dssp for gromacs 4.5.7 by following this instruction:
>
> #sudo wget ftp://ftp.cmbi.ru.nl/pub/software/dssp/dssp-2.0.4-linux-amd64
> <
> https://www.researchgate.net/go.Deref.html?url=ftp%3A%2F%2Fftp.cmbi.ru.nl%2Fpub%2Fsoftware%2Fdssp%2Fdssp-2.0.4-linux-amd64
> >
> -O /usr/local/bin/dssp
>
> #sudo chmod a+x /usr/local/bin/dssp
>
> #export DSSP=/usr/local/bin/dssp
>
> then I run g_do_dssp and I got this error:
>
> -----------------------------------------------------------------
>
> Program g_do_dssp, VERSION 4.5.7
> Source code file: /builddir/build/BUILD/gromacs-4.5.7/src/tools/do_dssp.c,
> line: 572
>
> Fatal error:
> Failed to execute command: /usr/local/bin/dssp -na ddKnNFex ddYd8PhB >
> /dev/null 2> /dev/null
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> <
> https://www.researchgate.net/go.Deref.html?url=http%3A%2F%2Fwww.gromacs.org%2FDocumentation%2FErrors
> >
> -------------------------------------------------------
>
> It also makes some files like "ddYd8PhB"!
>
> I have tried two different binary file but it didn't work. In addition
> there is a binary "g_do_dssp" from gromacs package . How can I point it to
> export dssp?
>
> plz help me to fix that problem
>
>
> --
> Homa Ahmadi
> Shahed University
> Faculty of Basic Sciences
> Alternative email> h.ahmadi at shahed.ac.ir <h.ahmadi at ast.ui.ac.ir>
> --
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