Assuming you want the 9782’th molecule in the file, using the -f and -l options to obabel is what you are looking for.
obabel ../input/in-3D.sdf -O 9782.sdf -f 9782 -l 9782 > On Nov 5, 2017, at 7:49 PM, Sundar <jubilantsun...@gmail.com> wrote: > > Hi, > > I was trying to extract a single molecule from a multimolecular sdf. > I used the following but it didn't work. > > obabel ../input/in-3D.sdf -O 9782.sdf --filter "title='9782'" > > Let me how can I do this. > > Thanks, > Jubilant > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! > http://sdm.link/slashdot_______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
