From chemistry-request- at -ccl.net Mon Nov 10 12:33:12 2003
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To: chemistry/at/ccl.net
Subject: Academic question of software
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Date: Mon, 10 Nov 2003 11:24:00 -0600 (CST)
From: blackagt/at/correo.unam.mx
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Hi,

I send a mail to jkl/at/ccl.net (Jan K. Labanowski) making a question, then he 
focused us to another email. The things are

         I saw the internet page CCL.NET because I was interested in the
> conformational analysis in solution of molecules with biological activity.
> Then in order to use proton-proton coupling constants (PPCC) mediated
Karplus
> equation I need a program that make the estimation of dihedral angles (DA)
> from  PPCC and PPCC from DA. A lot of Karplus equations have been
developed
> but I don4t have knowledge if there is a program able for this purpose.
>
>    Please, if you know any program that make these functions let me to
know
> and How can I adquire that.
>
> With best regards,

Alejandro Guillen Torres
> Chemistry Institute, Universidad Nacional Autonoma De Mexico
> Mexico D.F.
email  blackagt ^%at%^ correo,unam,mx


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