User 870ab5b546
15-01-2005 02:47:11
'Twould be better if when a bond pointed to a shortcut group, it did not always point toward the middle of the name, but rather pointed to the end of the name closer to the atom to which the group was bonded. For example, in this molecule, the bond from the ring to COOH is hard to see because the bond points to the middle of COOH rather than to the C:
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<?xml version="1.0"?> <MDocument> <MChemicalStruct> <molecule molID="m1"> <atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8" elementType="C C C C C C C R" sgroupRef="0 0 0 0 0 0 0 sg1" x2="-10.908240000000001 -9.574693333333334 -12.241973333333336 -12.241973333333336 -10.908240000000001 -10.509706666666668 -9.574693333333334 -8.240960000000001" y2="4.81824 7.128426666666668 7.128426666666668 5.588240000000001 7.898426666666668 6.4108800000000015 5.53 4.760000000000001" /> <bondArray> <bond atomRefs2="a1 a7" order="1" /> <bond atomRefs2="a1 a4" order="1" /> <bond atomRefs2="a7 a2" order="1" /> <bond atomRefs2="a2 a5" order="1" /> <bond atomRefs2="a5 a3" order="1" /> <bond atomRefs2="a3 a4" order="2" /> <bond atomRefs2="a5 a6" order="1"> <bondStereo>W</bondStereo> </bond> <bond atomRefs2="a1 a6" order="1"> <bondStereo>W</bondStereo> </bond> <bond atomRefs2="a7 a8" order="1"> <bondStereo>H</bondStereo> </bond> </bondArray> <molecule id="sg1" role="SuperatomSgroup" title="COOH" molID="m2"> <atomArray atomID="a9 a10 a11" elementType="C O O" attachmentPoint="1 0 0" x2="-8.240960000000001 -8.240960000000001 -6.907226666666667" y2="4.760000000000001 3.2200000000000006 5.53" /> <bondArray> <bond atomRefs2="a10 a9" order="1" /> <bond atomRefs2="a9 a11" order="2" /> </bondArray> </molecule> </molecule> </MChemicalStruct> </MDocument> |