Editing Contact Surface (section)

= Overview =
This script calculates individual or global contact areas between a receptor molecule and a (multimodel) bundle of docked ligand structures.
The exact contact surface area values (in Angstrom^2) are printed to the screen and also appended to a file called contactareas.txt.
If only a single global contact surface is calculated, a selection named "contact" is created that includes all receptor atoms within 3.9A of any ligand atom to illustrate the ''approximate'' contact surface.


The parameters are:

'''receptor''' ''(string)''
:: The name of the selection/object representing the receptor protein

'''ligand''' ''(string)''
:: The name of the selection/object representing the ligand
:: Note that this may be another protein!

'''states''' ''(integer)'', default:0
:: Calculate contact surface between the receptor and the first n states of the ligand.
:: If states = 0, the script calculates a global contact surface which takes  all possible ligand states into account.