Subject: Re: CCL:x-ray to cartesian

From: Serge Pisarev <[email-masked]>
Date: Wed, 16 Sep 1998 23:23:20 +0400

> Dear Netters,
> 
> Does anybody has a program that converts x-ray coordinates
> (symmetry + fractional coordinates of the unique atoms) into
> cartesian coordinates for the unit cell? I know that Ortep3
> can plot the x-ray coordinates, but I cannot make to write up
> the cartesians of the unit cell.
> Thanks a lot.        Ricardo Longo

Try RICON from ftp://org.chem.msu.su/pub/software/ricon/
Hope it helps
with best regards
-- Serge
^^^^^^^^__,,,_(@)_(@)_,,,___^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
Serge Pisarev -- Computational Chemistry, Dept. of Organic
Chemistry, 
Moscow State University, Moscow, Russia
email	: [email-masked]  
WWW	: http://org.chem.msu.su/~serge