Hi Andy, Could you clarify where the .fs file came from, and whether the original sd file is present?
- Noel On 12 May 2010 18:42, Tim Vandermeersch <tim.vandermeer...@gmail.com> wrote: > > > On Wed, May 12, 2010 at 5:23 PM, macc_200 <macc_...@yahoo.co.uk> wrote: > >> Hi, >> I have installed openbabel 2.2.3 on an ubuntu 10.04 machine via the apt >> installer but I am having problems substructure searching an indexed >> database viz: >> > babel VS_Library_full.fs -ifs -s'N#Cc1c(Cl)cccc1' results.smi >> ============================== >> *** Open Babel Error in ReadChemObject >> Difficulty opening VS_Library_full.sd >> >> 0 molecules converted >> 1 errors 19 audit log messages >> >> >> (note it is trying to open an sd file not an fs file) >> >> Searching an sd file with this smiles string works fine. Also, under >> windows and openbabel 2.2.3, searching this same .fs file works OK using the >> command prompt and this command. >> The obvious solution here is to use windows but I need to write a shell >> script to search through a lot of molecules and really need to get it >> working on linux. What should I be doing here? >> > > Have you tried recreating the index on linux. I'm not sure if these binary > files are portable across platforms. Others know more about this though. > > >> thanks, >> Andy >> >> >> >> >> ------------------------------------------------------------------------------ >> >> >> _______________________________________________ >> 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 > >
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