I'm afraid not possible right now with OB. Andrew Dalke's chemfp solves this problem though. See my comparison of OB and chemfp at http://baoilleach.blogspot.co.uk/2013/04/how-fast-is-chemfp-we-investigate.html
- Noel On 30 January 2014 09:32, Jörg Kurt Wegner <joergkurtweg...@gmail.com> wrote: > Hi all, a colleague is using OpenBabels similarity search and is struggling > with the "-s" input option, which allows only one query molecule at a time. > > Is there already any command line tool snippet to allow the input of a > > 1. fingerprint file with a multi SDFile as query, or > > 2. two fingerprint files, one as db, the other as query > > to get all similarities? > > With an option to write to more compressed binary objects or compressed text > files? > > Cheers > > /.Joerg > > > -- > Google+, LinkedIn, Twitter, FaceBook > > ------------------------------------------------------------------------------ > WatchGuard Dimension instantly turns raw network data into actionable > security intelligence. It gives you real-time visual feedback on key > security issues and trends. Skip the complicated setup - simply import > a virtual appliance and go from zero to informed in seconds. > http://pubads.g.doubleclick.net/gampad/clk?id=123612991&iu=/4140/ostg.clktrk > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ WatchGuard Dimension instantly turns raw network data into actionable security intelligence. It gives you real-time visual feedback on key security issues and trends. Skip the complicated setup - simply import a virtual appliance and go from zero to informed in seconds. http://pubads.g.doubleclick.net/gampad/clk?id=123612991&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
