From chemistry-request "-at-" server.ccl.net  Thu Jun 17 12:56:49 1999
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Date: Thu, 17 Jun 1999 13:47:31 -0300 (BSC)
From: andre mauricio de oliveira <amolive: at :dedalus.lcc.ufmg.br>
To: Alexander Klinsky <a9004590 ^at^ unet.univie.ac.at>
cc: CHEMISTRY:~at~:server.ccl.net
Subject: Re: CCL:SOMFA2 TF2 Files Problems
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Dear Dr Klinsky,
	
	If you have program Tsar(TM) installed in any workstation, you can
use it to export structures as .css, which samfa2 will easily read. I have
notice the same problems you reported, and this was the only solution I
have found.

On Wed, 16 Jun 1999, Alexander Klinsky wrote:

> Dear Colleagues !
> 
> 
> We have just begun using SOMFA2 and were unfortunately not able to generate
> the required tf2 files from our structures which are available as pdb files
> after superpositioning.
> 
> We did the following without success:
> 
> 1. Convert the PDB file to CSSR Format using Babel 1.6 then convert it with
> the included conversion utility -> Error message: Fractional coordinates not
> supported
> 2. Generate a CSSR file using molden 3.5 -> The same error message
> 
> 
> Does anybody know the detailed structure of the tf2 files or how to generate
> such files form PDB or anything else.
> 
> Kind regards, Alexander Klinsky
> Institute of theoretical chemistry
> University of Vienna
> Austria
> 
> 
> 
> 
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Best wishes,

Andre Mauricio de Oliveira

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