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 <[email protected]>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" <[email protected]> > To: "Adam Ralph" <[email protected]> > Cc: [email protected] > Sent: Wednesday, 5 October, 2011 11:36:30 AM > Subject: Re: [ccp4bb] Overlapmap > > > > On Wed, Oct 5, 2011 at 11:03 AM, Adam Ralph < [email protected] > 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 >
