# Put the first set of parameters here

#       e.g. zstep, probe etc

# This example just uses the defaults

# At the end you must issue the 'run' command to move onto

# the next set of commands

#

# use the 'subset .. calc .. serial' commands to

# select only those atoms in chain A for the area

# calculation

run

subset

calc

serial

1

751

done

next

# The 'next' starts the first area calculation

# For a second calculation issue 'run' again

# This time calculate the accessible area of chain A

# in the presence of chain B

#

# use the 'subset...done...reset' to clear the existing

# selection, before selecting chain A for calcation

# and chain B for inclusion only

# (nb would probably be better done using 2 separate

# runs of the program...)

run

subset

done

reset

subset

calc

serial

1

751

incl

serial

776

1526

done

next

# 'next' is required to do the 2nd calculation - the

# accessible area will be less than in the first because

# chain B obscures some of chain A

# 'stop' command ends the program

stop