Adam, I do know how to use sfall atmmap
Eleanor
On 10/05/2011 02:40 PM, Ian Tickle wrote:
Adam, sorry I don't use overlapmap, for the reasons you mention (and many
others!). In fact I decided it was in such a mess that it was irrecoverable
& so I wrote my own program EDSTATS to do all all these electron density
stats (and more). I talked about it at the last CSW (
http://www.cse.scitech.ac.uk/events/CCP4_2011/talks/tickle.pdf), and
submitted it to CCP4 in January but it doesn't seem to have made the latest
release yet (or even the pre-release), so at the moment I'm just
distributing it to anyone who's interested.
Cheers
-- Ian
On Wed, Oct 5, 2011 at 12:31 PM, Adam Ralph<adam.ra...@maths.nuim.ie>wrote:
Hi Ian,
Yes I agree. The whole program is a bit of a mess and could do with some
updating.
I am not an official CCP4 maintainer any more but I might send them
something. Do you
know how to use SFALL ATMMAP? I tired to test overlapmap's residue
correlation but did
not work properly.
Adam
----- Original Message -----
From: "Ian Tickle"<ianj...@gmail.com>
To: "Adam Ralph"<adam.ra...@nuim.ie>
Cc: CCP4BB@jiscmail.ac.uk
Sent: Wednesday, 5 October, 2011 11:36:30 AM
Subject: Re: [ccp4bb] Overlapmap
On Wed, Oct 5, 2011 at 11:03 AM, Adam Ralph< adam.ra...@nuim.ie> wrote:
Hi Brigitte,
You are correct, the columns labeled Fobs and Fcal refer to density. The
columns should be: averaged density for Obs and Cal for the main chain, then
averaged density Obs and Cal for the side chains. I have included a version
of overlapmap that calculates the R-factor correctly and have changed the
above columns in the output.
All the best Adam
Documentation should be fixed too :)
-- Ian
