From: Joos K. <jo...@su...> - 2013-05-31 09:27:51
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Hi all, is it possible to have SdfWriter write the Molecule Name (eg. first line per molecule) into the sd-file put have it not appear in properties? I can set the Molecule Name using mol.setProperty(CDKConstants.TITLE, "Molecule Name"); but then besides my desired properties the sd-file will include a cdk:title property. How can I avoid this? |