Convert to smi and figure out which molecules are missing. - Noel
On 28 October 2015 at 18:36, Wallace Chan <walla...@umich.edu> wrote: > Dear All, > > I am having trouble with creating a fast search index. My command and output > are as follows: > > Command > babel glass.sdf -ofs > > Output > This will prepare an index of glass.sdf and may take some time... > It took 55 seconds > 41258 molecules converted > 15 audit log messages > > The problem lies in the fact that glass.sdf has 186,342 molecules, while > only > 41,258 molecules succeeded in being converted. This is puzzling because this > has always worked for me in the past. I speculated that I may have messed up > the dollar sign formatting in molecule separation, but upon inspection, the > format seems fine. > > This has been driving me crazy and any help given will be much appreciated. > Thanks! > > -- > Wallace Chan > PhD Candidate > Zhang Lab > Department of Biological Chemistry > University of Michigan > walla...@umich.edu > > ------------------------------------------------------------------------------ > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
