From: Rajarshi G. <raj...@gm...> - 2011-02-19 15:57:54
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On Sat, Feb 19, 2011 at 10:49 AM, Egon Willighagen <ego...@gm...> wrote: > On Sat, Feb 19, 2011 at 4:42 PM, Rajarshi Guha <raj...@gm...> wrote: >> Is this a bug in the writer? > > I checked the documentation, and the Hcount field is indeed for [Query] only. Is there a way to indicate to MDLV2000Writer that a query molecule is desired or not? Actually, does this class differentiate between the two types of molecules in any way? -- Rajarshi Guha NIH Chemical Genomics Center |