Re: [ccp4bb]: Combination of two domains

[Mark A. White]

Jaishin, Assuming that your MR solution is correct you need to apply the appropriate crystallographic symmetry operators to the errant domain to reattach it to the first one.  The easiest way to determine which operator to use is in a molecular visualization program, such as xfit (XtalView) or MIfit.  Simply display your protein domains, click on the show symmetry button, click on a symmetry atom in the desired symmetry generated domain, and then save this symmetry molecule to a file (under the symmetry pull-down menu).  Then it is a simple job for a text editor to cut and paste the two domains together. Good Luck, Mark On Fri, 2006-06-30 at 14:57 +0800, 劉家欣(OZ) wrote: Dear All:   A  crystal dataset was indexed as R3 space group and had 30% amino acid sequence identity with the template. Because of  domain flexibility, split domains were separated to used to find out the phase.   Fortunately, the phase was solved with two domains independently. However, this two domains were far from each other. Is there any program could combine them to one pdb? Any suggestion would be appreciated. Thank you very much.       Best Regard,     jaishin Sincerely yours, Mark A. White, Ph.D. Assistant Professor, Dept. Biochemistry and Molecular Biology, Manager, Sealy Center for Structural Biology and Molecular Biophysics' X-ray Crystallography Laboratory, Basic Science Building, Room 6.660 C University of Texas Medical Branch Galveston, TX 77555-0647 Tel. (409) 747-4747 Fax. (409) 747-4745 mailto://[EMAIL PROTECTED] http://xray.utmb.edu http://xray.utmb.edu/~white