Hi Sun,
you may also want to have a look at this paper:
Acta Cryst. (2008). D64, 515-524.
Iterative-build OMIT maps: map improvement by iterative model building
and refinement without model bias.
Pavel.
On 7/25/2008 10:53 PM, Sun Tang wrote:
Hello Everyone,
I have a question about get
Dear Sun:
Starting the refinement again, with a molecular replacement structure
in which the residues in question are deleted, shouldn't take that
much time. However, I would be really surprised to see much model
bias in a sigma-A weighted 2Fo-Fc map generated after an omit
simulated ann
Hello Charlie,
Thank you very much for your comments. I mostly agree with you. However, as far
as I know most of the complexes structures are solved with MR with the their
apo-enzyme as search model and refined the structures with CCP4 or CNS. I tried
the simulated annealing omitting the resi
Hi, P K,
I think of it in terms of the probability of finding an electron within
the volume enclosed by the electron density map. In general, the
probability of finding an electron close to the nucleus will be higher
than that of finding an electron far from the nucleus due to electrostatic
a
You need to source the include/ccp4-setup.whateveryourshellis file
(after you edit it) in order to set up the environment.
I started playing with the files to make them more automatic, if you
want to try:
http://sage.ucsc.edu/~wgscott/setup/
The one for zsh works the best, followed by bash
Downloaded CCP4 6.0.99 core and phaser. Did gunzip and tar to extract.
Next, the instructions say "for the first 3 tarballs unpack into the
same directory, then configure...make...make install."
I did ./configure and got this:
"
! Please set environment variable BINSORT_SCR (see installation
inst
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Hi there,
I think 55% completeness is insufficient - you really need to collect more data.
Take a look at this movie from James Holton's website:
http://ucxray.berkeley.edu/~jamesh/movies/osc.mpeg
Stop the movie at 55% and check out how lousy the maps are compared to
95-100% - and I think these
