Hi, The error says Cannot read the SMILES string and if you look at the string it contains one more right parenthesis than left which is why you get the error.
Kind regards, Fredrik Skickat från min iPhone > 26 nov. 2015 kl. 12:18 skrev rathjyoti <rathjy...@gmail.com>: > > Dear friends, > I am facing a similar problem.With open babel tutorial I could > able to generate a fast-search index (znd_unique) for 30 thousand molecule. > I have tried searching matches > 0.5 tanimoto similarity with one molecule > and the fast search index it worked well. The command line argument for the > same as follows - > > babel znd_unique.fs similar0.5_CID5310786.sdf > -s"O=[P@@](O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)O[P@](=O)(O)OC[C@H]1O[C@H](C[C@@H]1O)n1c(=O)[nH]c(=O)c(C)c1" > -at0.5 > 55 molecules converted > 1152 audit log messages > > But, when I tried with another molecule > SCCCn1c2c([nH]c1=O)cccc2)c1nc2n(c3c(c2nn1)cccc3)CC it did not work. The > command line argument and error message for the same is - > > babel znd_unique.fs similar0.5_CID5310786.sdf > -s"SCCCn1c2c([nH]c1=O)cccc2)c1nc2n(c3c(c2nn1)cccc3)CC" -at0.5 > ============================== > *** Open Babel Error in ObtainTarget > Cannot read the SMILES string > 0 molecules converted > 1 errors 3 audit log messages > > Please help me out. > > Jyoti Prakash Rath > > > > > > -- > View this message in context: > http://forums.openbabel.org/Examples-of-Openbabel-fast-substructure-searching-tp4657120p4659069.html > Sent from the General discussion mailing list archive at Nabble.com. > > ------------------------------------------------------------------------------ > _______________________________________________ > 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
