Hi, I developped with a friend c++ class to handle mdl mol and sdffile. I will have a look on your program and see if we can add support for mdl molfile.
In addition, I post your email on the Alchem mailing list (Free Software for Chemistry Project). Jerome Pansanel -- http://www.alchem.org Power your Chemistry with Free Software ! Le Jeudi 8 Septembre 2005 22:18, Egon Willighagen a écrit : > (don't read this, if you don't use the KDE desktop) > > Hi all, > > since I'm working on extending Kat [1] to index chemistry files to allow > (online for CIF, mmCIF, PDB and MDL molfile) [2], I'm setting up kfile > plugins. Kfile plugins are used to show meta data: try right click on a > file and then choose Properties. > > But they are also used by Kat to extract meta data of files. And since I > wanted to add them ever since I worked on the chemicalmime project [3,4], I > finally gave it a go. > > The result is online as tar.gz [5]. Use the common ./configure && make && > make install. It only does PDB files at this moment, and extract the PDB > ID, classification, deposition date and the resolution. It requires > chemicalMIME to be installed, otherwise KDE won't recognize the mime types. > > Egon > > 1. http://kat.sf.net/ > 2. http://rcappuccio.altervista.org/wiki/index.php/Chemicalxpdb > 3. http://sf.net/project/showfiles.php?group_id=20024&package_id=127711 > 4. http://debian.wgdd.de/debian/ > 5. http://www.woc.science.ru.nl/devel/egonw/kfile_chemical-0.1.tar.gz ------------------------------------------------------- SF.Net email is Sponsored by the Better Software Conference & EXPO September 19-22, 2005 * San Francisco, CA * Development Lifecycle Practices Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
