Re: [ccp4bb]: problem with Refmac5

["David J. Schuller" <djs63@cornell.edu>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

On Sat, 16 Nov 2002, Ravi wrote:

> I also had experienced similar problems while running refmac5. In my case
> also, I had to put weight matrix 0.2 to avoid geometrical deviations going
> worse. I am also running refmac5 in a linux (redhat 7.1).
> 
> I have a feeling that there is something needs to be changed on the
> Planarity restraints. But 'm not sure.
> Ravi
> ==============================================================

I lowered the weight matrix down to 0.05 and it seemed to work OK.  The 
R-factor only came down to 0.38, but I've got tight restraints on the 
8-fold NCS and plenty of fixes to make on the model, so I'm not too 
worried.  It will only get better.

Cheers,

=======================================================================
"Reductionism is one of those words that makes me want
    to reach for my revolver." - Richard Dawkins 
=======================================================================
                        David J. Schuller
                        modern man in a post-modern world
                        MacCHESS, Cornell University
                        djs63@cornell.edu