Subject: Re:CCL:POAV analysis

From: "Tamas Gunda" <[email-masked]>
Date: Mon, 3 May 1999 09:21:07 +1

>   Hello everybody,
>     I'm looking for the QCMP044 program for the 
>     calculation of pyramidalization angle in 
>     nonplanar conjugated organic molecules. 
>     R.C Haddon was interested in POAV Analysis.
>     Have you ever heard something about this?
> 
>        Thank you,
>          Francesca

Dear Franceska,

I do not know about the QCPE program. However, the program
Mol2Mol can calculate POAV and a few other pyramidality indices
as well. Have a look on http://www.compuchem.com/mol2mol.html

Tamas

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   Dr Tamas E. Gunda                   phone: (+36-52) 316666-2479
   Research Group of Antibiotics       fax  : (+36-52) 310936
   L. Kossuth University               e-mail: [email-masked]
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