Thanks Tim, this has solved the problem. As you suggested, you need to make the .fs file on the same architecture you are running Openbabel
________________________________ From: Tim Vandermeersch <tim.vandermeer...@gmail.com> To: macc_200 <macc_...@yahoo.co.uk> Cc: openbabel-discuss@lists.sourceforge.net Sent: Wed, 12 May, 2010 18:42:09 Subject: Re: [Open Babel] fast index search on linux 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 > >
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