Hi,
I am trying to calculate real-space R-factors and correlation coefficients for
an array of different ligand conformations to find out which fits best in
experimental density. So far, I have been trying to use Overlapmap in CCP4
6.1.2 to do this, by correlating maps by residue and
Thanks Ian, I'll keep posting :)
Brigitte
Original message
Date: Tue, 4 Oct 2011 21:19:40 +0100
From: Ian Tickle ianj...@gmail.com
Subject: Re: [ccp4bb] Calculate real-space R-factor/corr coeff for ligand
To: bkziervo...@uchicago.edu
Cc: Adam Ralph adam.ra...@maths.nuim.ie, CCP4
Hi,
I am using the program Overlapmap to calculate real-space R-factors and
correlation coefficients in order to find ligand conformations that fit best
within the density.
I'm confused by the Overlapmap output, which includes Fobs and Fcalc values
that are used to calculate the R-factors and
