[gmx-users] Re: dssp on PC

Dastmalchi dastmalchi.s at tbzmed.ac.ir
Thu Jan 26 09:20:15 CET 2006


DSSP alone is working fine. I did a search in Gromacs Search page and
realized that other people have already raised the same problem. Still I
couldn't find a solution to my problem.
I have downloaded the dssp for Windows from
I guess do_dssp is not being directed to the location of the dssp
executable. I am not sure but my feeling was that if I set the following
environment variable,
set dssp=c:\dssp\DSSPCMBI.exe
and put the dssp directory in the path then issuing the dssp command from
anywhere should locate the executable file.
Thanks for your kind attention.

Cheers, Siavoush

> Hi, Siavoush,
> It's interesting that my email box did not receive your reply until I
browsed the GMX mailing list today.
> You may first make sure DSSP works itself, so I suggest you carry out DSSP
to calculate the secondary structure of a known structure from PDB databank.
> Regards,
> Wang Zhun

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