[ccp4bb] Phaser SAD+MR followed by CNS
Hello all, I have a structure that has been solved by MR and now have experimental SAD phases that I hope will improve the map. I used Phaser for this from within the CCP4i suite but I would like to take the solution and work with it further in CNS. Is there a way to generate a .hkl file from the Phaser output .mtz file? -- Kelly-Anne
Re: [ccp4bb] Phaser SAD+MR followed by CNS
The CCP4 mtz2various will do this. A sample script and instructions for using the CCP4i GUI can be found at http://capsicum.colgate.edu/chwiki/tiki-index.php?page=Phase+Solution#File_preparation. The example cited is for preparing a file for EPMR, which is a simple hklF listing. Cheers, -- Roger S. Rowlett Professor Colgate University Presidential Scholar Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@mail.colgate.edu Kelly-Anne Twist wrote: Hello all, I have a structure that has been solved by MR and now have experimental SAD phases that I hope will improve the map. I used Phaser for this from within the CCP4i suite but I would like to take the solution and work with it further in CNS. Is there a way to generate a .hkl file from the Phaser output .mtz file? -- Kelly-Anne
Re: [ccp4bb] Phaser SAD+MR followed by CNS
Dear Kelly-Anne 2009/3/27 Kelly-Anne Twist wils...@rockefeller.edu: Hello all, I have a structure that has been solved by MR and now have experimental SAD phases that I hope will improve the map. I used Phaser for this from within the CCP4i suite but I would like to take the solution and work with it further in CNS. Is there a way to generate a .hkl file from the Phaser output .mtz file? There is also the possibility to check the CNS pages at http://cns-online.org/v1.21/ (also nice to have if you get further problems) and they also have a page on converting to hkl format: http://cns-online.org/v1.21/tutorial/sf_convert/mtz_to_cns/text.html Best regards, Folmer
