Feature Requests item #756651, was opened at 2003-06-18 08:08
Message generated for change (Tracker Item Submitted) made by Item Submitter
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Category: None
Group: None
Status: Open
Priority: 5
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Nobody/Anonymous (nobody)
Summary: Lone Pairs electrons
Initial Comment:
Need lone pairs function:
The lone pairs should be balloon shaped, semi
transparent grey, with a fuzzy edge.
User could define the lone paris in .cml files.It should be
better if the user would have control over the shpe and
size of the lone pairs.
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<?xml version="1.0" encoding="ISO-8859-1"?>
<!DOCTYPE molecule SYSTEM "cml.dtd" []>
<molecule id="METHANOL">
<atomArray>
<stringArray builtin="id">a1 a2 a3 a4 a5 a6
a7</stringArray>
<stringArray builtin="elementType">C O H H H H
LP1</stringArray>
<floatArray builtin="x3" units="pm">-0.748 0.558 -
1.293 -1.263 -0.699 0.716 0.99</floatArray>
<floatArray builtin="y3" units="pm">-0.015 0.420
0.202 0.754 -0.934 1.404 0.99</floatArray>
<floatArray builtin="z3" units="pm">0.024 -0.278 -
0.901 0.600 0.609 0.137 0.99</floatArray>
</atomArray>
</molecule>
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