[gmx-users] best software to design molecules?

[Daan van Aalten]

Dear Vivek

You could use PRODRG for this, which takes a funny text drawing of your
molecule as input, but also reads the MDL Molfile format - so can you draw
the molecule with Chemdraw or the freely downloadable ISIS/Draw

See http://davapc1.bioch.dundee.ac.uk/prodrg

cheers

Daan


On Tue, 10 Jun 2003, Vivek Raut wrote:

> can anyone tell me which is the best software to be use to design molecules
> that are readily read & recognized by gromacs??
>
> i am using InsightII & Web Lab Viewer, but I have to almost rewrite the
> entire pbd file to make it readable in Gromacs. Any solution?
>
>
> -------------------------------------------------------------------------------------------------------------------------------------------
> Vivek Raut
> Graduate Research Assistant
> Department of Bioengineering
> Clemson University
> Clemson, SC- 29631. USA
> Email: vraut at clemson.edu
> Phone: 864-650-1431
> --------------------------------------------------------------------------------------------------------------------------------------------
>
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##############################################################################

Dr. Daan van Aalten                    Wellcome Trust CDA Fellow
Wellcome Trust Biocentre, Dow Street   TEL: ++ 44 1382 344979
Div. of Biol.Chem. & Mol.Microbiology  FAX: ++ 44 1382 345764
School of Life Sciences                E-mail: dava at davapc1.bioch.dundee.ac.uk
Univ. of Dundee, Dundee DD1 5EH, UK    WWW: http://davapc1.bioch.dundee.ac.uk

        O     C           O     C         Visit the PRODRG server to take
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