Hi Qing Lu,
try Autorickshaw: http://www.embl-hamburg.de/Auto-Rickshaw/
It can perform the complete structure solution procedure if the quality of
your data is sufficient and I consider it very user-friendly, especially
for beginners .
Regards,
Uli
Hi All,
I am new to protein
Dear All,
Not only for beginners, but also for experts who want to solve
structures in hurry at the beamline and who want to complete model
starting from X-ray data at resolution better than 3.0 A resolution.
Santosh
Quoting Ulrich Zander ulrich.zan...@strubio.uni-kiel.de:
Hi Qing
Dear Jürgen,
The road to perfection is a long one ... . Thank you for the feedback!
With best wishes,
Gerard.
--
On Thu, May 20, 2010 at 10:31:37PM -0400, Jürgen Bosch wrote:
I don't like the site finding option in autosharp, takes too long in most of
my
Crank is a good tool for doing this automatically. Follow the
instructions here:
http://ccp4wiki.org/~ccp4wiki/wiki/index.php?title=Automated_experimental_phasing_with_Crank
Qing Lu wrote:
Hi All,
I am new to protein crystallography. I would like to know the steps
involved in solving a MAD
Minor correction: SHELX software are not part of CCP4 but if you have
them installed as part of your crystallograhic software, you can call
them from the CCP4 GUI.
You can obtain the SHELX suite free to academic labs from Ggeorge
Sheldrickbe
Email George Sheldrick. George M. Sheldrick
Dear Qing Lu,
Now that several suggestions, both ccp4 and non-ccp4, have been made,
may I suggest that you (also) try autoSHARP, available free of charge at
http://www.globalphasing.com/sharp/
It includes the invocation of SHELXD to solve the substructure, and takes
I second autoSHARP/SHARP. It makes great initial maps, and once you get it
running, it is totally worth it.
I don't like the site finding option in autosharp, takes too long in most of my
cases.
So my approach is locate sites via SHELX, then feed them into Sharp.
Sorry Gerard :-)
Jürgen
On May 20, 2010, at 10:02 PM, Jeremiah Farelli wrote:
I second autoSHARP/SHARP. It makes great initial maps,
Hi All,
I am new to protein crystallography. I would like to know the steps involved
in solving a MAD dataset by using the program in CCP4 where you determine
the phases and then obtain the trace. The dataset is collected at 3
different wavelengths (peak, inflection and remote) using Se-Met as
Hi All,
I am new to protein crystallography. I would like to know the steps involved
in solving a MAD dataset by using the program in CCP4 where you determine
the phases and then obtain the trace. The dataset is collected at 3
different wavelengths (peak, inflection and remote) using Se-Met as
CCP4 way:
locate the Se sites with SHELX (if you use the CCP4I gui it's technically a
ccp4 program :-) )
Try using only your peak data set first. If you can't locate your sites with
the single wavelength then add remote (DAD) and if that doesn't work go MAD.
non-ccp4 way
run hkl2map as frontend
First, you will need CCP4 installed and set up properly. You will also
need to know your protein sequence. Put the latter into a text file
(FASTA format will do).
Next, download the file Elves from:
http://ucxray.berkeley.edu/~jamesh/elves/download.html
then type:
chmod a+x Elves
Elves
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