VMD-L Mailing List

From: Raul Araya (arayasecchi_at_gmail.com)
Date: Mon Jan 11 2021 - 15:56:27 CST

Dear VMD users

I'm using orient and tcl to compute the angle between the principal axes of
two protein domains. However, I'm running into some issue I cannot solve.
Sometimes the X or Y projection of the vectors flip (change sign) and thus
the computed angle also changes. How can this flipping be prevented or
solved?

Thanks
--------------------------------------------
Raul R Araya-Secchi
Postdoctoral researcher
X-ray and Neutron Science,
The Structural Biophysics Group,
Universitetsparken 5,
2100 CPH, DK.
raul.secchi_at_nbi.ku.dk