From: Rajarshi G. <raj...@pr...> - 2005-04-05 16:42:01
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Hi, I have a SDF file whose SMILES representation generated by Joelib2 is CCCCNC(=O)n1c(nc2ccccc12)NC(=O)OC I'm running the SMARTSMatchingExample.java code from the JOELib distribution and searching for the pattern: [$([H][NX3H1])] This should give me two hits but instead I the program says that the pattern is not in found in the file. (I set joelib2.smarts.SMARTSParser.anyRecognizesExpliciteHydrogens property to true and recompiled JOELib ) Does anybody have any pointers as to what might be wrong? ------------------------------------------------------------------- Rajarshi Guha <rx...@ps...> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- How I wish I were what I was when I wished I were what I am. |