[gmx-users] my_dssp or your_dssp?

[Chng Choon Peng]

Hi Seth,

  You have to get a copy of DSSP from the developer's website, after sending
an agreement. It's a free program. See:
http://www.cmbi.kun.nl/gv/dssp/

Then, follow the instruction on the Gromacs homepage about path setting in
order for Gromacs's do_dssp to find dssp:
http://www.gromacs.org/documentation/reference_3.2/online/do_dssp.html


cheers,
Choon-Peng

-- 
Mr. Choon-Peng CHNG
Research Associate
Computational Biology Group
BioInformatics Institute, BMSI, A*STAR
30 Biopolis Street
#07-01 Matrix Building
Singapore 138671
Tel (O): +65 64788301 Fax (O): +65 64789047
www.bii.a-star.edu.sg/~cpchng


On 6/23/04 3:09 PM, "Dr Seth Carlton OLSEN" <s.olsen1 at uq.edu.au> wrote:

> 
> Dear Gromacs Users,
> 
> I am running through the tutorials in order to familiarize myself with GROMACS
> and have come across an instance (in the 'speptide' example) where it is
> recommended to use a program (my_dssp) that does not appear to be included in
> the GROMACS distribution.  Where can I obtain this program?  I have attempted
> to use the do_dssp program as well, but I have come across the 'dssp
> executable does not exist error' mentioned elsewhere in this mailing list.  Is
> the program free to download and if so, where can I get it.  Thanks.
> 
> Cheers,
> Seth
> 
> 
> ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> 
> Dr Seth Olsen, PhD
> Postdoctoral Fellow, Computational Systems Biolgy Group
> Centre for Computational Molecular Science
> Chemistry Building,
> The University of Queensland
> Qld 4072, Brisbane, Australia
> 
> tel (617) 33653732
> fax (617) 33654623
> email: s.olsen1 at uq.edu.au
> Web: www.ccms.uq.edu.au
> 
> ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> 
> 
> 
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>