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
  • type "run average_b.py" in PyMOL
  • 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: %s" % selection)
	print("sum of B factors: %s" % stored.tempfactor)
	print("number of atoms: %s" % stored.atomnumber)
	averagetempfactor = stored.tempfactor / stored.atomnumber
	print("average B of '%s': %s" % (selection, averagetempfactor))
cmd.extend("average_b", average_b)