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From: Chris M. <c.m...@ga...> - 2011-04-05 16:11:43
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On 05/04/2011 16:54, ari...@cb... wrote: > Hello, i'm unable to add a formula in a .sdf file with 2.3.0, is this > option broken with the new Open Babel release? To add to the title, use --append formula To as a property, use --add formula. The parameter on --append and --add can be a space-separated list of descriptors; formula is now a descriptor. Chris |