Hello, i'm trying to do searches with the SMARTS patterns from SMARTS_InteLigand.txt:
obabel FP4.fs -s '[CX4H3][#6]' -O FP4.smi ============================== *** Open Babel Error in ObtainTarget Cannot read the SMILES string 0 molecules converted obabel FP4.fs -s '[OX2H][CX4;!$(C([OX2H])[O,S,#7,#15])]' -O FP4.smi ============================== *** Open Babel Error in ReadMolecule [OX2H][CX4;!$(C([OX2H])[O,S,#7,#15])] contained a character '!' which is invalid in SMILES ============================== *** Open Babel Error in ObtainTarget Cannot read the SMILES string 0 molecules converted I have no problems using the FP4.sdf file... or using SMILES strings for the searches (i.e. -s 'CCC'). Please, could you tell me what i'm doing wrong using the .fs files to do the SMARTS searches? Best regards. ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
