If I would you, I would join the sdf files, and then convert that to a single fs file.
To join: cat *.sdf tmp.txt mv tmp.txt joined.sdf - Noel On 3 December 2011 11:53, Jochen Schreiber <joc...@googlemail.com> wrote: > Hello to everybody, > > first i want to say hello. My first post in this mailinglist. > > I have a question. I have downloaded the full pubchem compound database and > convert all the sdf files to fs Files. > > Now i have 2138 fs-Files and i have a query.mol and i want to search the top > 5 similarity molecules in all fs-Files. My usage: > > sh: babel Compound_000025001_000050000.fs results2.sdf -query.mol > > Now i want to put in all fs-Files in this command. How does it work? > > I found solutions for that problem in java but i need to do this over the > commandline. > > So i hope you could help me. > > With best, > > Jochen Schreiber > > > > > > ------------------------------------------------------------------------------ > All the data continuously generated in your IT infrastructure > contains a definitive record of customers, application performance, > security threats, fraudulent activity, and more. Splunk takes this > data and makes sense of it. IT sense. And common sense. > http://p.sf.net/sfu/splunk-novd2d > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-novd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
