[gmx-users] Converting 2-d molecule to 3-D

[Florian Haberl]

Hi,

On Friday, 10. October 2008, andrea spitaleri wrote:
> Hi there,
> have look to "corina" software. I dont think it is free.
> http://cheminf.cmbi.ru.nl/cheminf/corina/

corina is a commerical product see

http://www.molecular-networks.com/software/corina/

You can try cdk it should convert 2d to 3d or any other chem(o)informatic 
toolkit.

Also something like MOE can handle such task.

Greetings,

Florian

>
> and
>
> vivek sharma wrote:
> > Hi there,
> >
> > Is there any open source package to convert 2-D structure of a molecule
> > to 3-D structure ?
> > If anybody have tried such thing, please suggest  me te way to do the
> > same. I am having openbabel  on my system, does openbabel i shaving such
> > functionality ?
> >
> > please suggest ?
> >
> >
> > With thanks,
> > Vivek
> >
> >
> >
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-- 
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 Dr. Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
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 Mailto: florian.haberl AT chemie.uni-erlangen.de
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