Hi Mark, see attached script. It does calculate angle and displacement but does no visualization. It depends on transformations.py from
http://www.lfd.uci.edu/~gohlke/code/transformations.py.html The script was inspired by message "Fab elbow angle" on this list: http://sourceforge.net/mailarchive/message.php?msg_id=26751711 Cheers, Thomas On Wed, Feb 9, 2011 at 4:12 PM, Mark Nance <mrna...@umich.edu> wrote: > Hi PyMolers, > > Is there a way to get a rotation angle from a rigid-body domain > movement from PyMol? After superpositioning domain A from structure 1 > onto domain A of structure 2, I'd like to state explicitly how many > degrees domain B closes by. I'd also like to draw a CGO arrow showing > the angle of rotation. > > Thanks, > Mark -- Thomas Holder MPI for Developmental Biology Spemannstr. 35 D-72076 Tübingen
domainangle.py
Description: Binary data
------------------------------------------------------------------------------ The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE: Pinpoint memory and threading errors before they happen. Find and fix more than 250 security defects in the development cycle. Locate bottlenecks in serial and parallel code that limit performance. http://p.sf.net/sfu/intel-dev2devfeb
_______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net