I should have said to use the -e option when indexing. Even if there is an error with a molecule, it just continues with the next.
Chris On 30/09/2010 13:32, Chris Morley wrote: > On 28/09/2010 23:34, Phil Evans wrote: >> Hello, >> >> I have a SD file which contains 244 000 entries. When I attempt to >> build a Fast Search index with >> >> babel infile.sdf outfile.fs ---errorlevel 4 >> >> I get 9 audit messages, and then >> >> It took 7.5 minutes >> 104444 molecules converted >> 9 audit log messages > > Error message logging is turned off during indexing, so there is no > useful information there. >> >> How can I determine: >> -which SD is causing the problem? >> -what might be the cause? > > This might give some information:: > babel infile.sdf -osdf -f 104443 -l 104446 > >> >> Or, alternatively, can I concatenate a bunch of small .fs files >> together (in an attempt to try to find the problem file by isolating >> it)? > It is possible to build fs indexes to only some of the molecules in > the datafile, by using --filter, -f and -l options during the > preparation of the index. >> >> Last, is a .fs file portable across OSes? > No. This is a job for the future, possibly using FPB format > http://code.google.com/p/chem-fingerprints/ >> >> Thanks much, very much appreciate OpenBabel. > > Chris > > ------------------------------------------------------------------------------ > Start uncovering the many advantages of virtual appliances > and start using them to simplify application deployment and > accelerate your shift to cloud computing. > http://p.sf.net/sfu/novell-sfdev2dev > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > > > > No virus found in this incoming message. > Checked by AVG - www.avg.com > Version: 9.0.856 / Virus Database: 271.1.1/3167 - Release Date: 09/29/10 > 20:50:00 > ------------------------------------------------------------------------------ Virtualization is moving to the mainstream and overtaking non-virtualized environment for deploying applications. Does it make network security easier or more difficult to achieve? Read this whitepaper to separate the two and get a better understanding. http://p.sf.net/sfu/hp-phase2-d2d _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
