Subject: Mol2Mol 4.0 announcement

From: "Tamas Gunda" <[email-masked]>
Date: Mon, 26 Nov 2001 10:38:12 +0100

Dear CCL Members,

    The new 4.0 version of the molecule file conversion,
manipulation and utility program Mol2Mol is now available
> from CompuChem Ltd.
    The current version of Mol2Mol recognizes, and interconverts
about 40 different file formats (including subtypes).
Contrary to the previous versions, there is no limit in
the number of inputted atoms (apart from memory limitations).
    It can slice multiple structural files to single ones (such 
as PDB models or MDL SD files to single ones) and vice versa
in several variations. Support for PDB Chime subformat
(with 1-2-3 bonds).
     It contains a simple graphical display module to inspect the
currently loaded molecule. It possesses chemical intelligence
for recognizing detailed atom types, hybridization and chemical
environments, which is necessary for converting simpler formats
(like X-ray crystallographic files) to more advanced ones,
or when hydrogen atoms are automatically to be added. Calculation
of pyramidalities, ring puckerings, checking for failors in
protein backbones.
   Mol2Mol is a very handy tool for everybody dealing with
molecular modelling.
   It is impossible to write here all of the features of Mol2Mol,
but have a look to the following links:

A very brief summary for those who don't like reading too much:
http://dragon.klte.hu/~gundat/m2m/mol2mol-sum.htm

For more info see: http://www.compuchem.com/mol2mol.htm
and/or http://dragon.klte.hu/~gundat/mol2mola.htm 

POV-Ray users may also have a look at:
http://dragon.klte.hu/~gundat/povraya.htm 

Demo and normal versions are available from CompuChem.
http://www.compuchem.com