One question: Sholud i join the fs Files or the sdf Files and create the fs File on the joined sdf Files?
What is better? Am 05.12.2011 um 14:50 schrieb Noel O'Boyle: > 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
