User 870ab5b546
25-07-2004 22:16:05
In the MarvinSketch file below, the colors from the P atom appear in the benzene ring, and they shouldn't. The problem is caused by the "incipient bond" between P and C. Erase that bond or convert it to a regular bond and the colors revert to normal.
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| <?xml version="1.0"?> <MDocument> <MChemicalStruct> <molecule molID="m1"> <atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10" elementType="C C C C C H R R C P" formalCharge="0 0 0 0 0 0 0 0 0 -1" radical="0 0 0 0 0 0 0 0 monovalent 0" sgroupRef="0 0 0 0 0 0 sg2 sg1 0 0" x2="-16.38366953178312 -16.38366953178312 -15.050000190734863 -13.716330849686605 -15.050000190734863 -15.050000190734863 -10.428459733754751 -11.915985506239917 -13.716330849686605 -11.915985506239917" y2="6.953350337470662 5.413316456352581 4.64329951579354 5.413316456352581 7.723367278029702 9.263367278029701 8.82193147619368 9.963350146735799 6.953350337470662 8.423350146735798" /> <bondArray> <bond atomRefs2="a5 a1" order="1" /> <bond atomRefs2="a1 a2" order="2" /> <bond atomRefs2="a2 a3" order="1" /> <bond atomRefs2="a3 a4" order="2" /> <bond atomRefs2="a4 a9" order="1" /> <bond atomRefs2="a5 a9" order="2" /> <bond atomRefs2="a5 a6" order="1" /> <bond atomRefs2="a10 a8" order="1" /> <bond atomRefs2="a10 a7" order="1" /> </bondArray> <molecule id="sg1" role="SuperatomSgroup" title="Ph" molID="m2"> <atomArray atomID="a11 a12 a13 a14 a15 a16" elementType="C C C C C C" attachmentPoint="1 0 0 0 0 0" x2="-5.921189464667502E-16 1.3336791218280366 1.3336791218280366 1.1842378929335002E-15 -1.3336791218280348 -1.3336791218280357" y2="-1.5400000000000005 -0.7700000000000005 0.7699999999999996 1.54 0.7700000000000002 -0.7699999999999998" /> <bondArray> <bond atomRefs2="a11 a12" order="2" /> <bond atomRefs2="a11 a16" order="1" /> <bond atomRefs2="a12 a13" order="1" /> <bond atomRefs2="a13 a14" order="2" /> <bond atomRefs2="a14 a15" order="1" /> <bond atomRefs2="a15 a16" order="2" /> </bondArray> </molecule> <molecule id="sg2" role="SuperatomSgroup" title="Ph" molID="m3"> <atomArray atomID="a17 a18 a19 a20 a21 a22" elementType="C C C C C C" attachmentPoint="1 0 0 0 0 0" x2="-5.921189464667502E-16 1.3336791218280366 1.3336791218280366 1.1842378929335002E-15 -1.3336791218280348 -1.3336791218280357" y2="-1.5400000000000005 -0.7700000000000005 0.7699999999999996 1.54 0.7700000000000002 -0.7699999999999998" /> <bondArray> <bond atomRefs2="a17 a18" order="2" /> <bond atomRefs2="a17 a22" order="1" /> <bond atomRefs2="a18 a19" order="1" /> <bond atomRefs2="a19 a20" order="2" /> <bond atomRefs2="a20 a21" order="1" /> <bond atomRefs2="a21 a22" order="2" /> </bondArray> </molecule> </molecule> </MChemicalStruct> <MEFlow arcAngle="150.0" headLength="0.6" headWidth="0.5"> <MAtomSetPoint atomRefs="m1.a10" /> <MAtomSetPoint atomRefs="m1.a10 m1.a9" /> </MEFlow> </MDocument> |