Feature Requests item #756651, was opened at 2003-06-18 10:08
Message generated for change (Comment added) made by hansonr
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Category: None
Group: None
>Status: Closed
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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>Comment By: Bob Hanson (hansonr)
Date: 2006-08-22 18:30
Message:
Logged In: YES
user_id=1082841
lcaoCartoon
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You can respond by visiting:
https://sourceforge.net/tracker/?func=detail&atid=379136&aid=756651&group_id=23629
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