Marvin 3.2 and JChem 2.1 released
Apologies for multiple postings. Marvin 3.2 and JChem 2.1 has been released. The packages contain Java applications and software development tools for chemistry, which are portable (run under Windows, Mac OS X, Unix, etc.) Marvin Applets and JavaBeans support drawing/displaying chemical structures and handling molecule objects. 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). Some recent changes in Marvin: - Enhanced stereochemical representation (according to MDL's new specification. - Improved Charge, logP and pKa calculation. - MarvinSketch can open 3D viewer windows. Some recent changes in JChem: - New piece: JChem Cartridge for Oracle (accessing many JChem functions, such as structure searching or property predictions, from within Oracle's SQL) - Enhanced performance of substructure search, especially in case of reactions. - Substructure hit coloring and hit alignment - Improvements in Screen: fuzzy smoothing in pharmacophore fingerprints, median hypothesis, better pharmacophore perception (mapping), GenerateMD replaces GenerFP * ChemAxon will have a booth at the upcoming ACS meeting * New York, September 8-10, Booth 1112 http://www.chemistry.org/portal/a/c/s/1/acsdisplay.html?DOC=meetings\newyork2003\homepage.html We will be showcasing our old and new products and will also have open computers to try live versions. Regards, Ferenc PS: The software can be tried/downloaded at http://www.chemaxon.com/products.html Online demos and examples Movies: http://www.chemaxon.com/demos.html 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 JChem: http://www.jchem.com/examples.html FREE: - 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 applications. -- Dr. Ferenc Csizmadia CEO ChemAxon http://www.chemaxon.com
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                Ferenc Csizmadia