Expanding shortcut groups -- cosmetic issue

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>


ChemAxon 587f88acea

06-10-2004 14:25:55

Thank you for submitting this problem, we will correct it!