I know it's not CCP4 but I use moleman2 for this, http://xray.bmc.uu.se/usf/xutil.html
. You read your pdb into moleman and choose the STatistics option, it
outputs Rg among lots of other things. It can all be scripted too if
you wanted to say charge through the whole PDB and get Rg for
everything.
Cheers,
Nathan
Begin forwarded message:
From: "William G. Scott" <[EMAIL PROTECTED]>
Date: 30 October 2008 3:03:03 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Radius of Gyration
Reply-To: "William G. Scott" <[EMAIL PROTECTED]>
Hi David:
I think molrep in CCP4 will calculate this, if there is nothing else.
Bill
On Oct 29, 2008, at 8:39 PM, David M Shechner wrote:
Hallo, one and all,
I was wondering if anyone knew of a quick method (say, a publicly-
available
script, or subroutine in a CCP4 program) by which one might
calculate the
Radius of Gyration of a molecule, given its pdb file. Any ideas?
Many thanks,
Dave Shechner
Graduate Student
Bartel Laboratory
Whitehead Institute/MIT
