Re: [ccp4bb] [off topic] Fitting unknown model in SAXS envelope

[Adam Round]

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
--
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

[ccp4bb] HERCULES 2015-Neutron Synchrotron Radiation European School for Physics, Chemistry Biology - registration deadline 31st October 2014

[Adam Round]

*HERCULES 2015**- European School*
/25 Years of Neutron  Synchrotron Radiation Science/

*2015 **session**:**/   1st March-1st April, 2015/*
/*Deadline for application:*//*   31st October 2014*/

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- /*Physics and chemistry of condensed matter*/
*

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/ *- to *learn new techniques using neutron and synchrotron radiation*
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 * Download the *list of practicals* for:
 o Biomolecular  Soft Condensed matter session
   
http://hercules-school.eu/uploads/Document/af/184_1413210886_Hercules2014-PracticalsB.pdf
 o Physics  Chemistry of Condensed matter session
   Physics%20and%20Chemistry%20of%20Condensed%20Matter



Contact email: hercu...@hercules-school.eu 
mailto:hercu...@hercules-school.eu




   Programme


   Common Lectures://
   
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 * Interaction of X-rays and neutrons with matter (absorption, elastic
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*Session: Applications to Physics and Chemistry of Condensed Matter*

 * Neutron and X-ray (and UV and IR) spectroscopies
 * X-ray reflectivity and diffraction of nano systems
 * Single crystal and powder diffraction
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 * Neutron and X-ray magnetic scattering
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