On Tue, 2005-08-30 at 11:24 +0200, Egon Willighagen wrote: > Hi all, > > with respect to Kat [1], a full text search/index program for the KDE desktop > environment [2], I'm writing a command line tool to convert a chemistry > document into a text only version, as helper for Kat [3]. In a very crude > setup, this sort of comes down to ripping out all chemistry :) > > Seriously, I welcome very much some discussion here on what information you > would like to preserve in a ASCII (text/plain) version of a chemistry > document? Please indicate the file format, when making comments. Some > documents contain more information than others (e.g. PDB vs. XYZ :).
When you mention chemistry document does this mean documents with chemical content in them or do you mean structure (and other types) of chemical data files? If the former then along with the text, if structures could be converted to SMILES that would be useful. Similarly, reactions could be converted to a similar format. Is this what you were planning to do? ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Heisenberg may have slept here... ------------------------------------------------------- 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
