Subject: New Mol2mol 3.5

From: "Tamas E. Gunda" <[email-masked]>
Date: Fri, 13 Oct 2000 11:37:03 +0200

Dear CCL Members,

    The new 3.50 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 more
than 30 different file formats. It contains a simple graphic display
module to inspect the currently loaded molecule. It possesses some 
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 to the heavy atoms. Multiple-to-multiple
multiple-to-many conversions. Calculation of pyramidalities, ring puckerings.
   Some of the new features of Mol2Mol ver 3.50:

New file formats have been added: Molecule-3D (m3d), crystal Shelx read and edit/write,
MDL SD file read and write.
Adding hydrogens to PDB (type) files: mimic pH;
New graphical utility: show the distances to nearest atoms, browse multiple structures.
Several features for POV-Ray files.

For more info see: http://www.compuchem.com/mol2mol.htm  (demo version is available.)
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 
------------------
Dr Tamas E. Gunda
University of Debrecen, POBox 36
H-4010 Debrecen, Hungary
e-mail: [email-masked]
home-page: www.klte.hu/~gundat/gunda.htm