SUPCOMB will only give useful results if the shape of the SAXS envelope
matches that in the Crystal structure.
In this case with multiple subunits, fitting the chosen numbers of
monomers to the SAXS data with SASREF (also from the ATSAS package)
would be more appropriate.
the resulting model should then be overlayed with the envelope using
SUPCOMB for verification.
Additional help on this can be found in the SAXIER forum:
http://www.saxier.org/forum/
If you are interested in learning more regarding the complimentary use
of SAS and MX you should consider attending a course such as the
upcumming EMBO course in Grenoble (Deadline march 1st):
http://events.embo.org/15-saxs/
Best regards
Adam Round
On 02/02/15 12:01, Dritan Siliqi wrote:
I supposed could be done by supcomb program at ATSAS package
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On 02/02/2015 11:52, Andre Godoy wrote:
Dear users
I'm having some troubles to fit my x-ray model in my SAXS envelope..
more about:
1) I have a SAXS model with enough room for 6 monomers.
2) I have the crystallographic structure, but AU or any generate
symmetry related doesn't appears to be the biological unit (I mean,
crystal packing is different from SAXS packing)
Is there any piece of software that can take monomers and find the
best (or least worst) RMSD between a SAXS envelope and a generated
coordinate system? Or anyone have a good ideia for me to do so?
All the best,
Andre Godoy
PhD Student
IFSC - University of Sao Paulo - Brazil
--
Dritan Siliqi
Institute of Crystallography- CNR
Via G. Amendola, 122/O 70126 Bari, Italy
Phone: +39 0805929164 Fax: +39 0805929170
Email:dritan.sil...@ic.cnr.it
skypeID: dritano
