Bond-Centric: Dihedral Angle when angle is 0

Bugs item #1808410, was opened at 2007-10-06 12:11
Message generated for change (Tracker Item Submitted) made by Item Submitter
You can respond by visiting:
https://sourceforge.net/tracker/?func=detail&atid=835077&aid=1808410&group_id=165310

Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: Mouse Tools
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: James (jbunt)
Assigned to: Nobody/Anonymous (nobody)
Summary: Bond-Centric: Dihedral Angle when angle is 0

Initial Comment:
When on of the atoms involved in the dihedral angle is 180 degrees from the selected bond (perfectly in line) the dihedral angle should be undefined but the tool is still displaying an angle.

I use the GetTorsion method in OBMol to calculate the dihdral angle and i’m not sure what it returns in this case.

Also the code in place to ensure the rectangles displayed have a minimum width & height might causing the angle to be displayed when it shouldn’t be.


You can respond by visiting:
https://sourceforge.net/tracker/?func=detail&atid=835077&aid=1808410&group_id=165310