User 870ab5b546
06-10-2004 12:31:09
Here's another shortcut group issue for you. Shortcut groups such as MeO and PhS are connected to the remainder of the molecule at a divalent atom. When these groups are expanded, the two bonds from the divalent atom are placed at 180° angles. It would be nice if they were placed at 120° angles. For example, see this file:
Code: |
<?xml version="1.0"?> <MDocument> <MChemicalStruct> <molecule> <atomArray atomID="a1 a2 a3 a4 a5" elementType="C C C C O" sgroupRef="sg1 0 0 0 sg1" attachmentPoint="0 0 0 0 1" x2="-3.5116666984558105 -6.5916666984558105 -7.36166669845581 -7.36166669845581 -5.051666698455811" y2="1.6916667222976685 1.6916667222976685 3.025345844125704 0.35798760046963274 1.6916667222976682" /> <bondArray> <bond atomRefs2="a2 a3" order="1" /> <bond atomRefs2="a2 a4" order="1" /> <bond atomRefs2="a1 a5" order="1" /> <bond atomRefs2="a2 a5" order="1" /> </bondArray> <molecule id="sg1" role="SuperatomSgroup" title="OMe" /> </molecule> </MChemicalStruct> </MDocument> |