Subject: Re: CCL:FREE SOFTWARE

From: "E.L. Willighagen" <egonw*at*sci.kun.nl>
Date: Thu, 29 Apr 2004 09:48:27 +0200

On Wednesday 28 April 2004 23:13, Miguel Romero wrote:
> This is the first time I write to the CCL. I am starting a new molecular
> modeling project in a new research group. I've used comercial modeling
> software for many time but now I have to switch to something else,
> preferably a FREE or reasonably priced software. I
>
> I am going to work with ligand-protein complexes and I need manipulation
> software, doking and molecular mechanics (geometry optimization and
> molecular dynamics) software. It can work under linux or windows sistems.
>
> Can anybody help me.
> thanks in advance for any help!

I'm not sure which programming language you plan to use (I guess C, C++ or 
even fortran...), but for visualization I do recommend Jmol 
(http://www.jmol.org) which is open source and has a very good 3D 
visualization of proteins which is even being improved every day by an 
international group of programmers and users.

And since Java can easily bind to C/C++ code, it is quite straightforward to 
combine it with your code.

I hope this helps,

Egon

- -- 
egonw*at*sci.kun.nl
PhD on Molecular Representation in Chemometrics
Nijmegen University
http://www.cac.sci.kun.nl/people/egonw/
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