From: <ma...@li...> - 2008-10-24 14:12:28
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Hi, I tried to do a similarity search but I did not work. I did this way: first I created an index: babel DS001.smi DS001.fs then I tried to do the search using tanimoto coefficient parameter babel DS001.smi RS001.smi -sSMILES -ifs -at0.6 Than I got this message. ============================== *** Open Babel Error in ObtainTarget Filename of pattern molecule in -S option must have an extension 0 molecules converted 1 errors 5 audit log messages Could anyone help me? Thanks Max |