User 870ab5b546
29-11-2014 20:06:30
Draw this structure in Marvin 14.11.10.0:
<?xml version="1.0" encoding="UTF-8"?>
<cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com/marvin/schema/mrvSchema_14_10_13.xsd" version="ChemAxon file format v14.10.13, generated by v14.11.10.0">
<MDocument>
<MChemicalStruct>
<molecule molID="m1">
<atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12" elementType="C C C C C C C C C O H H" formalCharge="0 0 0 0 0 0 1 0 0 0 0 0" x2="-23.781194407349403 -25.114863748397667 -25.114863748397667 -23.781194407349403 -22.447525066301147 -22.447525066301147 -27.78220243049418 -27.78220243049418 -26.448533089445924 -26.448523308666147 -29.115881552322215 -26.448523308666147" y2="-8.94237789480281 -9.712394835361852 -11.252428716479933 -12.022445657038974 -11.252428716479933 -9.712394835361852 -9.712394835361852 -11.252428716479933 -12.022445657038974 -8.942394835361853 -8.942394835361853 -7.402394835361854"/>
<bondArray>
<bond id="b1" atomRefs2="a1 a2" order="1"/>
<bond id="b2" atomRefs2="a3 a4" order="1"/>
<bond id="b3" atomRefs2="a4 a5" order="2"/>
<bond id="b4" atomRefs2="a5 a6" order="1"/>
<bond id="b5" atomRefs2="a1 a6" order="2"/>
<bond id="b6" atomRefs2="a9 a3" order="1"/>
<bond id="b7" atomRefs2="a2 a3" order="2"/>
<bond id="b8" atomRefs2="a7 a8" order="1"/>
<bond id="b9" atomRefs2="a8 a9" order="1"/>
<bond id="b10" atomRefs2="a7 a10" order="1"/>
<bond id="b11" atomRefs2="a7 a11" order="1"/>
<bond id="b12" atomRefs2="a10 a12" order="1"/>
</bondArray>
</molecule>
</MChemicalStruct>
<MElectronContainer id="o2" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a10" difLoc="0.0 -0.4271436984378223 0.0"/>
<MElectron atomRefs="m1.a10" difLoc="0.21357184921891204 -0.36991729391359307 0.0"/>
</MElectronContainer>
<MElectronContainer id="o3" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a10" difLoc="-0.3020362057064858 0.3020362057064858 0.0"/>
<MElectron atomRefs="m1.a10" difLoc="-0.41258912985772156 0.11055292415123574 0.0"/>
</MElectronContainer>
</MDocument>
</cml>
Now use the Bond tool to convert the C-O single bond to a double bond. The C and O atom are (correctly) underlined to indicate valence errors. Now mouse over C and type -, then mouse over O and type +. Note that the C and O atoms are still underlined as if they still had valence errors. This problem doesn't occur if I use the charge buttons to change the charges of the C and O atoms.
The problem is not general to all typing; if I mouse over the C=O double bond and type 1, it changes back to a single bond, and the valence error indicators go away.