[xcrysden] XCRYSDEN or other software?

[Elie Albert Moujaes]

Thanks a lot for your help. I am new to this and I want to do a molecular 
dynamics simulation to nanotubes merged with some polymners. Will check the 
website or will contact Clive or Dave in case I encountered problems. Thanks 
again

Elie


On Mon, 23 Apr 2012 11:47:07 +0200, Volker Eyert wrote
> Elie,
> 
> actually, the new MedeA(R) polymer builder of Materials Design can do
> this. With this tool, you can sketch arbitrary repeat units and their
> connection points - and you can polymerize any desired polymer from
> these. Once you have created a polymer, you can attach it to a
> nano-tube, using the Molecular Editor in MedeA. Details can be found 
> on our webpage www.materialsdesign.com or just contact our experts Clive
> Freeman and Dave Rigby (whom I cc).
> 
> Hope this helps
> 
> Volker
> 
> On 4/20/12 3:54 AM, Elie Albert Moujaes wrote:
> >
> >  Dear all,
> >
> >  I need your help in something. I am trying to find a software to be used 
to
> >  build polymers (such as PPES) and find their positions (in angstroms, for
> >  example), the same as a nanotube modeler would do when one inserts 
chiralities
> >  and carbon bonds where the output would be the positions of the C atoms. 
I also
> >  want to attach the polymer to a SWNT; can XCRYSDEN do that or does anyone 
have a
> >  suggestion of a software for me? I would really be grateful.
> >
> >  Thank you
> >
> >  Elie Moujaes
> >  University of Notts
> >  NG7 2RD
> >  UK
> >  --
> >  Departamento de Fisica - UFMG/ICEx
> >
> >  _______________________________________________
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> >  XCrySDen at democritos.it
> >  http://www.democritos.it/mailman/listinfo/xcrysden
> 
> -- 
> veyert at materialsdesign.com
> phone: +33 1 7061 5814, ext. 324
> cell:  +49 162 4146998


--
Departamento de Fisica - UFMG/ICEx