From owner-chemistry:~at~:ccl.net Sun Nov 27 15:32:00 2005 From: "Geoffrey Hutchison grh25!A!cornell.edu" To: CCL Subject: CCL: ANNOUNCE: Open Babel 2.0 Released Message-Id: <-30082-051127152649-2065-6Ojb2Z9w3eCI9eHIdPauIQ,,server.ccl.net> X-Original-From: Geoffrey Hutchison Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; delsp=yes; format=flowed Date: Sun, 27 Nov 2005 15:26:29 -0500 Mime-Version: 1.0 (Apple Message framework v746.2) Sent to CCL by: Geoffrey Hutchison [grh25/a\cornell.edu] I had a slightly different e-mail written for the CCL readers. I won't fill your e-mail, so I'll include a small addendum to the announcement that Dr. Leitl forwarded. Open Babel is largely volunteer project. It is free, open source chemistry software provided for the community at large. Besides converting between a range of computational chemistry (and other) file formats, the code library makes it easy to develop C++ chemistry programs. A range of examples is provided, including "obgrep" for SMARTS searching any file readable by Open Babel, "obfit" which can batch-align molecules by SMARTS patterns, and the new 2.0 release adds support for Python and Perl scripting. Again, check Open Babel website for release notes and more information: http://openbabel.sourceforge.net/ Open Babel is also a proud member of the Blue Obelisk movement, a collection of free and open source chemistry projects working together to produce better science and better software. http://www.blueobelisk.org/ Cheers, -Geoff -- -Dr. Geoffrey Hutchison Cornell University, Department of Chemistry and Chemical Biology Abruņa Group http://abruna.chem.cornell.edu/ On Nov 27, 2005, at 5:16 AM, Eugen Leitl eugen::leitl.org wrote: > Sent to CCL by: Eugen Leitl [eugen++leitl.org] > ----- Forwarded message from Geoffrey Hutchison geoffhutchison.net> ----- > Date: Sat, 26 Nov 2005 20:12:53 -0500 > To: OpenBabel discussion list lists.sourceforge.net> > Subject: [OpenBabel-Announce] ANNOUNCE: Open Babel 2.0 Released > > I'm extremely proud to announce the release of Open Babel 2.0.0, the > latest stable version of the free chemistry file translation program > and chemistry software library. This release marks the fourth > "birthday" of the Open Babel project and a milestone for a stable, > flexible interface for developers and users alike. > > OpenBabel is a project designed to pick up where Babel left off, as a > cross-platform program and library designed to interconvert between > many file formats used in molecular modeling, computational chemistry > and related areas. > > Highlights of the 2.0 release include a new conversion framework > making it easier to develop new translators, dramatically improved > support for merging, splitting, and batch conversion, a framework for > molecular fingerprints, similarity searching, a fast molecular > database format, support for Perl and Python scripting "wrappers," > automatic support for reading .gz (gzip) compressed files, support > for the new IUPAC/NIST InChI identifiers and more. > > What's new? See the release notes at: > http://openbabel.sourceforge.net/RELEASE.shtml > > To download, see: > http://prdownloads.sourceforge.net/openbabel/openbabel-2.0.0.tar.gz > > For more information, see the project website at: > http://openbabel.sourceforge.net/ > > Many thanks to all the contributors to Open Babel. Particular thanks > go to (in no particular order) Jean Br?fort, Nick England, David > Hoekman, Elmar Krieger, Christian Laggner, Chris Morley, and Chris > Swain for helping to get this release out the door. > > Cheers, > -Geoff > > ------------------------------------------------------- > This SF.net email is sponsored by: Splunk Inc. Do you grep through > log files > for problems? Stop! Download the new AJAX search engine that makes > searching your log files as easy as surfing the web. DOWNLOAD > SPLUNK! > http://ads.osdn.com/?ad_idv37&alloc_id865&op=click > _______________________________________________ > OpenBabel-Announce mailing list > OpenBabel-Announce-.-lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-announce > > ----- End forwarded message ----- > -- > Eugen* Leitl leitl > ______________________________________________________________ > ICBM: 48.07100, 11.36820 http://www.leitl.org > 8B29F6BE: 099D 78BA 2FD3 B014 B08A 7779 75B0 2443 8B29 F6BE > > > > -= This is automatically added to each message by the mailing > script =- > To recover the email address of the author of the message, please > change> > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+- > +-+-+ > > >