I don't know if Open Babel supports joining fs files, so joining the sdf may be your only choice. Chris?
On 5 December 2011 15:20, Jochen Schreiber <joc...@googlemail.com> wrote: > 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
