[phenixbb] AutoSol

Thomas C. Terwilliger terwilliger at lanl.gov
Tue Apr 19 08:25:17 PDT 2011

Hi Nora,

AutoSol will only take a single "crystal_info", and assumes that all data
that you give it is referring to a single crystal form, with
(approximately) the same cell dimensions for all datasets.

If you have multiple crystal forms, or crystals with substantially (more
than about 1-2 percent) different cells, then you will want to solve them
separately.  You can then combine information with
phenix.multi_crystal_average if you want.

Let me know if that doesn't help with your two questions!
All the best,

-Tom T

>> Whilst I can input SAD SAD data ie two different SAD datasets using
>> Group =1 and Group =2 with the "Wavelength" keyword, how do I input 2
>> different crystals using the "crystal_info" keyword which does not
>> recognize Group =
>> Inputting .sca unmerged anomalous data how do I input data for 2 different
>> crystal_info keywords with different heavy atoms and different unit cells?
>> thanks
>> Nora
>> Dr N B Cronin
>> X-Ray Laboratory Manager               Tel. (+44) 020 7153 5445
>> Section of Structural Biology             Fax. (+44) 020 7153 5457
>> Chester Beatty Laboratories		mobile: (+44) 07787554059
>> The Institute of Cancer Research
>> 237 Fulham Road
>> London
>> SW3 6JB
>> The Institute of Cancer Research: Royal Cancer Hospital, a charitable
>> Company Limited by Guarantee, Registered in England under Company No.
>> 534147 with its Registered Office at 123 Old Brompton Road, London SW7
>> 3RP.
>> This e-mail message is confidential and for use by the addressee only.  If
>> the message is received by anyone other than the addressee, please return
>> the message to the sender by replying to it and then delete the message
>> from your computer and
>> network._______________________________________________
>> phenixbb mailing list
>> phenixbb at phenix-online.org
>> http://phenix-online.org/mailman/listinfo/phenixbb

More information about the phenixbb mailing list