Average b

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)"

Contact

Gregor Hagelueken, gh50@st-andrews.ac.uk

Code

<source lang="python"> 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)