User 870ab5b546
28-09-2006 12:36:10
Paste the file below into Marvin 4.1.1 (standalone version for Mac). Then press the O button, put an O on the left, press the H button, add an H to the newly drawn O. Note how the + sign disappears. Try to change the map number of the newly added O and see how the O-H disappears as you hover over the O. Press the Select button and watch the newly drawn O-H disappear for good.
There is a workaround -- use the bond tool to draw CH3-CH3, then change the two C atoms -- but the behavior I describe shouldn't occur.
There is a workaround -- use the bond tool to draw CH3-CH3, then change the two C atoms -- but the behavior I describe shouldn't occur.
| Code: |
| <?xml version="1.0" ?> <MDocument> <MChemicalStruct> <reaction> <propertyList> <property dictRef="NAME" title="NAME"> <scalar><![CDATA[alkyne halogenation]]></scalar> </property> <property dictRef="REAGENTS" title="REAGENTS"> <scalar>X2</scalar> </property> <property dictRef="EXAMPLE" title="EXAMPLE"> <scalar><![CDATA[ CO.BrBr.CCCC#CCCC>>CCC\\C(OC)=C(\\CCC)Br CC(O)=O.ClCl.CCCC#C>>CCC\\C(OC(=O)C)=C/Cl ]]></scalar> </property> </propertyList> <reactantList> <molecule molID="m1"> <atomArray atomID="a1 a2" elementType="Cl Cl" mrvMap="4 3" mrvQueryProps="L,Cl,Br,I: L,Cl,Br,I:" x2="-0.48999977111816406 -2.029999771118164" y2="0.9099996089935303 0.9099996089935303" /> <bondArray> <bond atomRefs2="a1 a2" order="1" /> </bondArray> </molecule> <molecule molID="m2"> <atomArray atomID="a1 a2 a3 a4" elementType="C C H H" mrvMap="1 2 7 6" mrvQueryProps="0 0 L,H,C,N,O,F,Si,P,S,Cl,As,Se,Br,Te,I: L,H,C,N,O,F,Si,P,S,Cl,As,Se,Br,Te,I:" x2="-0.5946522186930512 -1.5502175856892757 -2.665554038886023 0.8123506230153543" y2="6.091981930527467 7.299706727154989 8.651030211403928 4.448991700139001" /> <bondArray> <bond atomRefs2="a1 a4" order="1" /> <bond atomRefs2="a1 a2" order="3" /> <bond atomRefs2="a2 a3" order="1" /> </bondArray> </molecule> </reactantList> <productList> <molecule molID="m3"> <atomArray atomID="a1 a2 a3 a4 a5 a6" elementType="C C O Cl H H" mrvMap="1 2 5 3 7 6" mrvQueryProps="0 0 0 L,Cl,Br,I: L,H,C,N,O,F,Si,P,S,Cl,As,Se,Br,Te,I: L,H,C,N,O,F,Si,P,S,Cl,As,Se,Br,Te,I:" x2="11.144979334936806 9.905588404898904 11.215390449350036 9.74537852439284 8.494273272571021 12.568497476483518" y2="5.983660748340629 6.897780257776567 4.445271241431833 8.645933529947857 6.281509540264906 6.571194662840371" /> <bondArray> <bond atomRefs2="a1 a6" order="1" /> <bond atomRefs2="a1 a3" order="1" /> <bond atomRefs2="a1 a2" order="2" /> <bond atomRefs2="a2 a4" order="1" /> <bond atomRefs2="a2 a5" order="1" /> </bondArray> </molecule> <molecule molID="m4"> <atomArray atomID="a1 a2" elementType="Cl H" mrvMap="4 8" mrvQueryProps="L,Cl,Br,I: 0" x2="13.311666984558105 11.771666984558104" y2="1.6333333253860474 1.6333333253860474" /> <bondArray> <bond atomRefs2="a1 a2" order="1" /> </bondArray> </molecule> </productList> </reaction> </MChemicalStruct> </MDocument> |