Re: [ccp4bb] rotation peak number in new version phaser

2013-12-06 Thread Randy Read
Hi,

I would only suggest using the brute rotation function if you want to use the 
rotate around option or do something other than a full rotation search, 
because the fast search followed by rescoring should give you essentially the 
same list of peaks (but faster).

If you want to get a bigger list of orientations, you should be able to open 
the Expert parameters section of the ccp4i GUI for Phaser, then change the 
percent cutoff in the Purge rotation peaks line to something lower than the 
default of 75%.  Alternatively, if you're running Phaser from a script, you can 
include commands like:

   PURGE ROT ENABLE ON
   PURGE ROT PERCENT 50.0

I've just tested and this works for me.  Let me know if you're still having 
trouble with this.

Best wishes,

Randy Read

On 5 Dec 2013, at 10:11, LISA science...@gmail.com wrote:

 hi all,
 
 I try to solve the crystal structures of a mult-domain protein with phaser. I 
 cannot solve the structure by automatic search using domain structure as the 
 models. I tried to do the rotation search using the fast or brute rotation 
 function. I defined the rotation search peaks number is 1000. But I only get 
 no more than 100 peaks. I tried the phaser in ccp4-6.3.0 and ccp4-6.4.0. But 
 I can only get much less peaks than I required in the rotation. But the old 
 version phaser can give about 1000 peaks if I use brute rotation function ask 
 for 1000 peaks. How can I more rotation peaks in the new version phaser 
 ?
  Thank you.
 
 Lisa

--
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 RoadE-mail: rj...@cam.ac.uk
Cambridge CB2 0XY, U.K.   www-structmed.cimr.cam.ac.uk


[ccp4bb] rotation peak number in new version phaser

2013-12-05 Thread LISA
hi all,

I try to solve the crystal structures of a mult-domain protein with phaser.
I cannot solve the structure by automatic search using domain structure as
the models. I tried to do the rotation search using the fast or brute
rotation function. I defined the rotation search peaks number is 1000. But
I only get no more than 100 peaks. I tried the phaser in ccp4-6.3.0 and
ccp4-6.4.0. But I can only get much less peaks than I required in the
rotation. But the old version phaser can give about 1000 peaks if I use
brute rotation function ask for 1000 peaks. How can I more rotation peaks
in the new version phaser
?
 Thank you.

Lisa