From: Rajarshi G. <raj...@gm...> - 2009-11-18 02:14:15
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On Nov 17, 2009, at 3:42 PM, Dazhi Jiao wrote: > It seems the bug is in these lines of the SMARTSParser.jjt file: > Line: 416, Where it ignores the atomic mass. > > I think patches have to be made to different places. I plan to change > the lines around line 416 to: Thanks a lot for the pointers - got the fix working. ---------------------------------------------------- Rajarshi Guha | NIH Chemical Genomics Center http://www.rguha.net | http://ncgc.nih.gov ---------------------------------------------------- Got Mole problems? Call Avogadro at 6.02 x 10^23. |