Average b
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average_b.py
- calculate the average B-factor of a selection.
usage
- copy code to text file and save as average_b.py. Install via Plugin>Install plugin from within PyMOL.
- restart PyMOL and then type "average_b (selection)"
author
Gregor Hagelueken
code
from pymol import cmd,stored
def average_b(selection):
stored.tempfactor=0
stored.atomnumber=0
cmd.iterate(selection,"stored.tempfactor=stored.tempfactor+b")
cmd.iterate(selection,"stored.atomnumber=stored.atomnumber+1")
print "Your selection: ", selection
print "sum of B factors: ", stored.tempfactor
print "number of atoms: ",stored.atomnumber
averagetempfactor=stored.tempfactor/stored.atomnumber
print "average B of '", selection,"': ", averagetempfactor
cmd.extend("average_b",average_b)