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[ccp4bb]: Re: Simulating overlaps



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Mosflm does this, in that one can change all of the parameters you mentioned,
and run TESTGEN. If you are looking for an interactive, (auto)optimizing tool,
I don't know of one.

Dave Borhani
Abbott Bioresearch Center


                                                                                                                                                 
                    marius                                                                                                                       
                    <marius@hexa.e17.physik.tu-mu        To:     ccp4 bulletin board <ccp4bb@dl.ac.uk>                                           
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                    owner-ccp4bb@dl.ac.uk                                                                                                        
                                                                                                                                                 
                                                                                                                                                 
                    12/27/01 03:44 AM                                                                                                            
                                                                                                                                                 
                                                                                                                                                 




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Dear all,
I am looking for a program doing the following:

calculate/simulate reflection spot size and reflection
overlap as a function of the following parameters (in the
order of importance):

cross-fire  (dealing with > 1 deg)
deltaLambda/Lambda (dealing with some percent and
                    approaching quasi Laue)
mosaicity
unit cell parameters
crystal size
frame width (i.e. crystal rotation per image)
crystal detector distance

These kind of programs should be available from people
designing  protein beam lines. Could these people point
me to some code. I'd appreciate any help.


Many thanks in advance
Marius






_____________________________________________________________________________

Dr. Marius Schmidt
Physikdepartment E17
Technische Universitaet Muenchen
James Franck Strasse
85748 Garching
      Germany

Email: marius@hexa.e17.physik.tu-muenchen.de
Tel  : +49/89/2891-2550
Fax  : +49/89/2891-2548
E17 im WWW:
       http://www.physik.tu-muenchen.de/lehrstuehle/E17/bio_server.html
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