From: SourceForge.net <no...@so...> - 2003-06-18 15:08:13
|
Feature Requests item #756651, was opened at 2003-06-18 08:08 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=756651&group_id=23629 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. ----------------------------------------- <?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> ---------------------------------------------- ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=756651&group_id=23629 |