Pyadmin: 2 revisions

2014-03-28T01:31:17Z

2 revisions

Speleo3 at 07:31, 9 June 2011

2011-06-09T07:31:57Z

New page

=Overview=
This code will calculate the area of a given selection. If you have a bunch of disparate selections, or one selection made up of various objects then you can use this to find the area.

=The Code=
<source lang="python">
def calcArea(sel, ASA=0, density=3, quiet=1):
"""
DESCRIPTION

Calculate the area of an object or selection (as if it were one complete object).

ARGUMENTS

sel = string: atom selection

ASA = 0/1: solvent excluded or solvent accessible surface area

density = int: sampling quality {default: 3}
"""
tName = "__temp__for__doArea__"
cmd.create(tName, sel)
cmd.flag("ignore", tName, "clear")
cmd.set("dot_solvent", int(ASA), tName)
cmd.set("dot_density", int(density), tName)
theArea = cmd.get_area(tName)
cmd.delete(tName)
if not int(quiet):
print 'Area (solvent %s): %.3f Angstroms^2' % (['excluded',
'accessible'][int(ASA)], theArea)
return theArea

cmd.extend('calcArea', calcArea)
</source>

=See Also=
* [[Get_Area]]
* [[Set]]
* [[Flag]]
* [[Create]]
* [[Delete]]

[[Category:Script_Library]]

← Older revision	Revision as of 01:31, 28 March 2014
(No difference)

CalcArea - Revision history

Pyadmin: 2 revisions

Speleo3 at 07:31, 9 June 2011