From chemistry-request@ccl.net Wed Dec 22 08:03:28 2004 Received: from chemaxon.hu (90.156-228-195.hosting.adatpark.hu [195.228.156.90]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id iBMD3PGa027455 for ; Wed, 22 Dec 2004 08:03:26 -0500 Received: from [10.0.0.179] (6.122-182-adsl-pool.axelero.hu [81.182.122.6]) by chemaxon.hu (8.12.8/8.12.8) with ESMTP id iBMDJU3C016028; Wed, 22 Dec 2004 14:19:30 +0100 Message-ID: <41C9745E.302~at~chemaxon.com> Date: Wed, 22 Dec 2004 14:19:26 +0100 From: Alex Allardyce Reply-To: aa~at~chemaxon.com User-Agent: Mozilla Thunderbird 0.8 (Windows/20040913) X-Accept-Language: en-us, en MIME-Version: 1.0 To: CHEMISTRY~at~ccl.net, chemweb~at~ic.ac.uk, CHMINF-L~at~LISTSERV.INDIANA.EDU, MOL-DIVERSITY~at~LISTSERV.ARIZONA.EDU, scitech~at~lists.apple.com Subject: JChem 3.0 and Marvin 3.5 released Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=6.5 required=7.5 tests=FVGT_s_OBFU_J,MY_DSL, RCVD_IN_DYNABLOCK,RCVD_IN_SORBS,RCVD_IN_SORBS_WEB autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Appologies for multiple postings JChem 3.0 and Marvin 3.5 have been released. The packages contain Java applications and software development tools for chemistry, which are portable (run under Windows, Mac OS X, Unix, etc.) JChem modules: JChem Base (chemical database searching and database integration), JChem Cartridge for Oracle, Standardizer (structure canonization), Screen (virtual screening), Reactor (reaction modeling), Fragmenter (generating building blocks), JKlustor (clustering and diversity calculations). Marvin Applets and JavaBeans support drawing/displaying chemical structures and handling molecule objects. FREE USE: - Marvin Applets are free for free web sites. - MarvinSketch and MarvinView applications accessed from ChemAxon's web site http://www.chemaxon.com/marvin/jnlp/index.html - Locally installed MarvinSketch, MarvinView, and MolConverter - All tools for teaching and academic research. Details and application: http://www.chemaxon.hu/forum/ftopic193.html Some recent changes in JChem 3.0: - New options, improved performance and stability for JChem Cartridge - New JChemSearch options, superstructure search introduced, speed improvement - JKlustor extended with Maximum Common Structures searching of a compound set. Some recent changes in Marvin: - New graphics objects: arc, arrows, curved electron flow arrows. - Plugins: New free plugin: TopologyAnalyserPlugin calculates molecular properties (number of various ring types, rotatable bonds, etc.) from topology. ** ChemAxon will have a booth and scientific poster presentations at the upcoming InfoTech Pharma Meeting in London, March 15th and 16th at the Novotel, London West. This meeting is co-hosted with Drug Discovery Europe 2005. http://www.infotechpharma.com/ ** Useful links Download: http://www.chemaxon.com/products.html - ChemAxon demo site: http://www.chemaxon.com/demosite/ Implementations - Marvin Applications through Java Web Start: http://www.chemaxon.com/marvin/jnlp/index.html - Marvin applet demos: http://www.chemaxon.com/marvin/demos.html - Marvin examples for developers: http://www.chemaxon.com/marvin/doc/dev#examples - MarvinSpace, NEW open GL 3D rendered viewer (under development): http://www.chemaxon.hu/shared/MarvinSpace/index.html - JChem : http://www.jchem.com/examples.html - Reactor: http://www.jchem.com/examples/reactor/jsp/index.jsp Regards Alex Allardyce Communications Director