No, it's possible also to specify a model in the form of the molecular transform in an MTZ file, derived either from coordinates or a density map.
I see that I failed to "Reply all" in my earlier reply to this email, which was the following: ===== Does the MTZ file from oasis contain electron density for another crystal form of the same protein (or a close relative)? If so, I presume you've made sure to cut out the density corresponding to one molecule and place it in a large unit cell. Assuming that's right, the error message you got arises when you haven't told the ccp4i GUI for Phaser which ensemble you want to search for. Even if you've only defined one ensemble, you have to specify that that's the one you want to search for. This is in a pulldown in the "Search Parameters" pane labelled "Perform search using". I've just tested with the new CCP4 6.3.0 release, and this works for me. Good luck! Randy Read ===== On 15 Aug 2012, at 10:07, Eleanor Dodson wrote: > The ensemble should be a set of coordinates > Eleanor > On 15 Aug 2012, at 04:42, 李华 wrote: > >> Dear ccp4er, >> I try to use Phaser MR to solve a structure. A mtz file from oasis was >> used as a ensemble. All of the parameters containing protein MW, nucleic >> acid MW, extent of X, Y, Z and center of X, Y, Z and RMS error were >> assigned. However, when I ran phaser mr, the program complain that "NOT SET: >> search ensemble". Does anybody has any advice about this? >> Thanks very much! >> Hua > ------ Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: + 44 1223 336500 Wellcome Trust/MRC Building Fax: + 44 1223 336827 Hills Road E-mail: [email protected] Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
