Subject: Announcement: CLIFF - a new file format converter

From: Info - Molecular Networks GmbH <[email-masked]>
Date: Mon, 21 Oct 2002 14:22:52 +0200

CLIFF 1.17 Announcement – a new program for file format conversion
-------------------------------------

Molecular Networks GmbH is pleased to announce a new program called
CLIFF for the interconversion of more than 40 different chemical
structure exchange file formats. CLIFF supports most of the commonly
used formats for chemical compounds (SMILES, SDF, MOL, MOL2, ...) and
reactions (RXN, RDF).

CLIFF (Chemical Libraries - Interconversion of File Formats) is a
powerful program which provides a series of functionality, which goes
beyond a simple conversion tool:
* generation of 2D coordinates by a state-of-the-art 2D structure layout
module of the CACTVS system licensed from Xemistry GmbH
* template-based 2D structure arrangement
* enrichment of datasets with additional information, such as molecular
weight, number of H-donors, etc.
* automatic hydrogen addition or removal
* features for the removal of counterions in salts

It can be applied to
* interfacing a variety of chemical information and data processing
systems
* maintenance and standardization of compound and reaction databases
* preprocessing of datasets by adding missing data or converting to file
formats required by other programs

As it was designed to handle large datasets of hundreds of thousands of
chemical structures the program is available as a command line program.
CLIFF is available for x86 Linux, SGI IRIX, Sun Solaris, or Windows
NT/2000/XP.

For further information please visit our website http://www.mol-net.de/
or contact us via fax +49 9131 815669 or by e-mail [email-masked]

--
   Molecular Networks GmbH
   Dr. Oliver Sacher
   Nägelsbachstr. 25
   91052 Erlangen, Germany
   Email: [email-masked]
   Web: http://www.mol-net.de

---

From: Kimberley Cousins <[email-masked]>
Date: Mon, 21 Oct 2002 10:19:14 -0700 (PDT)

To all,
A colleague of mine in computer science is working on collaborative java
software for various disciplines. He asked me if
(a) there were presently such an application (applications) for drawing
chemical structures, and 
(b) if there were a need to develop such a tool.

I believe what he is proposing is something like one of the java-based
structure input formats (think Marvin) that could be modified in "real
time" by collaborators across the world (think interactive white board)

I would appreciate replies from those who know of any such existing tools,
as well as opinions of its potential usefulness.

Thanks

Kimberley Cousins
Associate Professor of Chemistry
California State University, San Bernardino
5500 University Parkway
San Bernardino, CA  92407
(909)880-5391

[email-masked]
http://chem.csusb.edu/~kcousins