I guess you mean you have one ha per monomer?
To use CCP4 tools - you can use mapmask to mask out a sphere of density
around your heavy atom.
Give the atom a "radius" of 10A of something big to get a decent lump,
and make sure it looks sensible..
(Use your best phases here of course)
Then use
This almost does what you want, but not quite.
To quote from the NCS6D manual:
"NCS6D uses a set of BONES or PDB atoms as input and tries to find a set
of rotations and translations which maximise the correlation coefficient
between the density at the (BONES) atoms and those at the same atoms
Hi Partha,
ncs6d did really great things to me a while ago. Similar case as yours, only
one Met site in each of the 4 monomers, pretty horrible maps. I was amazed
how ncs6d could sort its way through the maps and find the ncs operators. As
a simple approach I just took a spherical map around the me
Hi,
On Thu, May 22, 2008 at 11:22:19AM -0700, Juergen Bosch wrote:
> You can also scratch your head and look at the selfrotation function
> of your dataset.
Some of that scratching can be done using GETAX for you - it's in CCP4
(for years), but hasn't got a CCP4i interface (yet: next release will
Hi Partha,
you could add "artificial" sites close to the Se sites in regions of
density which look similar to you, you will need at least three sites
then let resolve figure out the NCS operators. You can also scratch your
head and look at the selfrotation function of your dataset.
You might
Hi,
Apologies for a non CCP4 question in strict sense. I am trying to work
out the NCS operators for a three wavelength
Se-MAD data which has only one site. The map is hardly interpretable.
I came across the USF Rave package and what I am aiming is
creak a mask around the heavy atom site (found b
