[gmx-users] Re: dssp on PC

[Dastmalchi]

Hi,

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
http://swift.cmbi.ru.nl/gv/dssp/.
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
>