This script calculates statistics on the B-values for all atoms in the selected object, prints the information on screen and appends it to a file called "cluster_count.txt".
cluster_count 1ubq
#output on screen:
Number of atoms in ' 1ubq ': 602
Minimum and Maximum B-values: 2.0 42.75
Average B-value: 13.4131063029
Standard deviation of the B-values: 8.70767140923
This data will be appended to cluster_count.txt
#output in file cluster_count.txt; the format is:
#objectname N minB maxB aveB stdevB
1ubq 602 2.000 42.750 13.413 8.708