how to calculate elbow angle for Fabs
schiweck at max.mpibp.uni-frankfurt.de
schiweck at max.mpibp.uni-frankfurt.de
Thu Nov 23 04:03:26 EST 1995
In bionet xtallography msg # 2128 Jianping Ding writes :
-> Hi there,
-> Could anybody tell me if there are any programs that can
-> calculate the hinge (elbow) angle for Fab fragment?
-> Or other alternatives?
-> Thanks in advance!
-> Jianping Ding
Dear Jianping,
you can calculate the elbow angle of a Fab fragment as follows:
Superpose the VH domain on VL and CH on CL with LSQMAN (written by Gerard Kley-
wegt). After superpostion using the "show"-command, LSQMAN analyses the opera-
tors and calculates the direction cosines of the two pseudo-dyad axes.
The angle between these two axes is then calculated using the general formula:
cos THETA = cos ALPHA1 * cos ALPHA2 + cos BETA1 * cos BETA2 + cos GAMMA1 * cos
GAMMA2
If you also want to get the translational part of the superposition, for
example the program CALC-AX (written by Joachim Meyer, University of Freiburg,
Germany,) does that job. Check the latest "O"-newsgroup contributions for his
program.
Hope that helps
Wolfram Schiweck
Max-Planck-Institut fuer Biophysik
Heinrich-Hoffmann-Str. 7
60528 Frankfurt am Main
Germany
E-Mail: schiweck at max.mpibp.uni-frankfurt.de
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