[buster-discuss] Rigid body refinement only?

Miguel Ortiz Lombardia miguel.ortiz-lombardia at afmb.univ-mrs.fr
Wed Dec 19 08:00:33 CET 2012


El 19/12/12 00:28, Francis E Reyes escribió:
> I thought -RB does rigid body first but then does coordinate refinement after that first cycle? 
> 
> F
> 

True, but you can always request a single "big cycle" if you want to
inspect the maps before proceeding with general restrained refinement.

Cheers,

-- Miguel

> On Dec 18, 2012, at 3:26 PM, Nicolas Foos wrote:
> 
>> Hi Francis
>>
>> Yes it's possible, you have to use option :   -RB in the command line. 
>> It's also possible to define the "body" wich are consider with the *.dat 
>> file.
>>
>> Hope to help you.
>>
>> Nicolas
>>
>> Le 18/12/12 21:51, Francis E Reyes a écrit :
>>> Hi All
>>>
>>>
>>> Is it possible to specify only rigid body refinement and  no coordinate refinement with buster?
>>>
>>> Thanks
>>>
>>> F
>>>
>>>
>>>
>>> ---------------------------------------------
>>> Francis E. Reyes PhD
>>> 215 UCB
>>> University of Colorado at Boulder
>>>
>>>
>>>
>>>
>>>
>>>
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>>
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-- 
Miguel

Architecture et Fonction des Macromolécules Biologiques (UMR7257)
CNRS, Aix-Marseille Université
Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
Tel: +33(0) 491 82 55 93
Fax: +33(0) 491 26 67 20
mailto:miguel.ortiz-lombardia at afmb.univ-mrs.fr
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