Re: [PyMOL] minimum rotation between views

2013-11-26 Thread Jonathan Grimes
many thanks……much appreciated. jon Dr. Jonathan M. Grimes, NDM Senior Reseach Fellow University Research Lecturer DIAMOND Research Fellow Division of Structural Biology Wellcome Trust Centre for Human Genetics University of Oxford Roosevelt Drive, Oxford OX3 7BN, UK Email: jonat...@st

Re: [PyMOL] minimum rotation between views

2013-11-25 Thread Sampson, Jared
Hi Jonathan - There is a script by Christoph Gohlke on the PyMOL Wiki called transformations.py which may be useful. It provides several functions that can be used to manipulate quaternions. I used it to calculate pseudo-twofold axes for my Fab

Re: [PyMOL] minimum rotation between views

2013-11-25 Thread Robert Hanson
Jonathan, this is called the quaternion difference, but I don't know how you get access to quaternions in PyMOL. If you could, you would just take the difference between the two quaternion representations of the views and get it's angle for the corresponding axis-angle. Jason, are there standard P

[PyMOL] minimum rotation between views

2013-11-25 Thread Jonathan Grimes
is there a script available to calculate the min rotation about a vector that describes the relationship between 2 views…… i am happy to ignore any translational component but i have 2 views of a molecule and want to say that theres a *** deg rotation between the 2 views ? t