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minor shortcut group leftname problem

User 870ab5b546

13-12-2006 18:16:20

We have redefined the leftname of the OSiMe3 shortcut group in our shortcut groups file in the following way:





Code:
OSiMe3  C[Si](C)(C)O    5   leftName=Me3SiO






It works fine, except that when the bond is pointing to the left, it points to the center of the group name, not to the right.





You can achieve the same effect if you paste the following code into Marvin:





Code:
<?xml version="1.0" ?>


<MDocument>


  <MChemicalStruct>


    <molecule molID="m1">


      <atomArray


          atomID="a1 a2 a3 a4 a5 a6 a7"


          elementType="C C C C C C R"


          sgroupRef="0 0 0 0 0 0 sg1"


          x2="0.46666666865348816 -0.8670026723947704 -0.8670026723947704 0.46666666865348816 1.8003360097017467 1.8003360097017467 -2.2006817942228056"


          y2="2.765033904959939 1.9950169644008984 0.45498308328281745 -0.315033857276223 0.45498308328281745 1.9950169644008984 2.765016964400899"


          />


      <bondArray>


        <bond atomRefs2="a1 a2" order="1" />


        <bond atomRefs2="a1 a6" order="1" />


        <bond atomRefs2="a2 a3" order="1" />


        <bond atomRefs2="a3 a4" order="1" />


        <bond atomRefs2="a4 a5" order="1" />


        <bond atomRefs2="a5 a6" order="1" />


        <bond atomRefs2="a2 a7" order="1" />


      </bondArray>


      <molecule id="sg1" role="SuperatomSgroup" title="OSiMe3"


                leftName="Me3SiO" molID="m2">


        <atomArray


            atomID="a8 a9 a10 a11 a12"


            elementType="O Si C C C"


            attachmentPoint="1 0 0 0 0"


            x2="-1.8472777684133304 -0.7583333253860474 -1.8472777684133304 0.33061111764123563 0.33061111764123563"


            y2="3.3056111414830935 2.2166666984558105 1.1277222554285276 3.3056111414830944 1.1277222554285276"


            />


        <bondArray>


          <bond atomRefs2="a12 a9" order="1" />


          <bond atomRefs2="a9 a10" order="1" />


          <bond atomRefs2="a9 a11" order="1" />


          <bond atomRefs2="a9 a8" order="1" />


        </bondArray>


      </molecule>


    </molecule>


  </MChemicalStruct>


</MDocument>






Toggle between leftName="Me3SiO" and leftName="SiMe3O" and you will see what I mean. ???

User f359e526a1

13-12-2006 19:40:35

Have no idea why is it doing that, will have a look, thanks.

User f359e526a1

22-12-2006 13:38:24

Hoping I managed to fix it - was not a trivial one as most of the minor bugs ;)