Re: [ccp4bb] mol rep help needed

2010-10-04 Thread Clemens Vonrhein
Hi David, On Fri, Oct 01, 2010 at 11:40:13AM -0400, David Roberts wrote: My question - finally - how can I run automolrep with one dimer fixed, looking for the location of the other 2 monomers (so basically I want to fix a dimer as part of my solution, and then search for the other 2

Re: [ccp4bb] mol rep help needed

2010-10-03 Thread Eleanor Dodson
Suggestions: Are you using the GUI - that gives you a molrep option to provide a fixed model.. Re Amore - yes you can do this - run first pass as autoamore which should find one monomer, the keep on redoing the TRAN fun providing the solution to 1st, 1st+2nd, etc as known solution - all

Re: [ccp4bb] mol rep help needed

2010-10-02 Thread xaravich ivan
HI Dave, Have you tried PHASER. I think you might get all the four molecules in auto mode. PHASER does a great job and it should be already installed along with your ccp4i. Ivan On Fri, Oct 1, 2010 at 8:40 AM, David Roberts drobe...@depauw.edu wrote: Hi all, I'm relatively new to using CCP4

[ccp4bb] mol rep help needed

2010-10-01 Thread David Roberts
Hi all, I'm relatively new to using CCP4 (I've done most of my crystallography using x-plor, phases, etc...). But, I like ccp4, and so I'm using it in concert with amore (which I know is part of the ccp4i build now) for molecular replacement. I have a protein that I'm working on with data