you're absolutely right. (mostly so, given these are questions to the
coot bb :) )
Just one comment, and one question, if I may:
1.Comment: sometimes it's just a good idea to know what are you actually
calculating, so a bit better to dig deeper in the files that you use,
and get to the point where you need to choose for instance which
coefficients to use etc. Especially for beginners (e.g. bad idea to look
at a [Fcalc;PHIcalc] map...the map will look gorgeous ;) so on and so forth)
2. Actually this example is interesting, to learn a bit more about what
is it that Coot is actually doing when invoking File -> Fetch PDB & Map
using EDS
It works indeed fine.
If I go to EDS however, because of too high a disagreement on Rfactors,
it actually doesn't enable me to get anything at all (am I missing
something here?)
And, going to "the source", in the PDB entry 1C75, the deposited
structure factor file, only includes observed amplitudes (and sd's) for
measured reflections.
My question: closing coot after fetching the EDS entry (coot IS able to
get something from EDS!?), if you look at the coot-download dir, you can
find an mtz with many columns, including sigmaA-weighted amplitudes and
phases for 2fo-fc anf fo-fc fourier ("a la Refmac")
so, as Ed suggested, I guess coot is performing a 0 cycles refmac behind
the scenes? or is it doing something else?
wouldn't it be good to have also the original sf file saved in the
download directory?
thanks
ale
On 5/27/14, 19:07, Bernhard Lechtenberg wrote:
Hi all,
I might be missing something here,
but in Coot, can you not just use File -> Fetch PDB & Map using EDS...
to get both the model and the map? This definitely works for me for
your example 1C75.
Bernhard
Bernhard C. Lechtenberg, PhD
Postdoctoral Fellow
Riedl Lab
Sanford-Burnham Medical Research Institute
10901 North Torrey Pines Road
La Jolla, CA 92037, USA
Phone: 858.646.3100 x 4216
Email: [email protected]
<mailto:[email protected]>
--
Alejandro Buschiazzo, PhD
Research Scientist
Unit of Protein Crystallography
Institut Pasteur de Montevideo
Mataojo 2020
Montevideo 11400
URUGUAY
Phone: +598 25220910 int. 120
Fax: +598 25224185
http://www.pasteur.edu.uy/pxf
