Dear Luisa,
2009/4/21 Maria Luisa Rodrigues :
> Dear all,
>
> Is there any PyMOL command to calculate surface areas?
> Many thanks,
>
Did you try to search for information yourself first?
Anyways, the pymolwiki.org is always a good place to go and then you
would have found something like this
Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Kaushik
Raha
Sent: Wednesday, November 12, 2003 2:50 PM
To: Harp, Joel M
Cc: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] surface area calculation
To calculate surface
Joel,
Yes, PyMOL does have this capability, but it is immature and not
routinely validated.
The basic concepts are:
1) "get_area selection" command will return the effective surface area
of the dots that you would see from "show dots, selection". This is a
discrete approximation -- not an ex
To calculate surface area for a defined object from the PyMOL command
line type:
print cmd.get_area("obj")
where obj is the name of your object.
for arginines:
create ARG, resn ARG
print cmd.get_area("ARG")
Kaushik.
On Wednesday, November 12, 2003, at 05:10 PM, Harp, Joel M wrote:
Is it
