Dear Andre,
In the past I had some good fitting results with SITUS (it was a case where the matched the crystal structure). Best, D ________________________________ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Adam Round [aro...@embl.fr] Sent: 02 February 2015 11:13 To: ccp4bb Subject: Re: [ccp4bb] [off topic] Fitting unknown model in SAXS envelope 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<mailto:dritan.sil...@ic.cnr.it> skypeID: dritano -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom
