[buster-discuss] test flag number in BUSTER

[David Veesler]

Hi Keitaro,
I think you are referring to the use of maximum entropy http://scripts.iucr.org/cgi-bin/paper?ba5067
To turn it on you can add the keyword UseMaxEntLastCycle=yes or UseMaxEntThroughout=yes to your command line arguments.
Cheers
David

Le 1 avr. 2011 à 04:54, Keitaro Yamashita a écrit :

> Dear ClAuS,
> 
>> given your timezone, I'd say today ;-) ... but being closer to GMT,
>> I have to say: soon, no no, real soon ;-)
> 
> Oh, I shouldn't have asked it today ;-)
> Anyway, I'm looking forward to the new BUSTER :-)
> 
> 
> by the way, can I ask one more question? (sorry for not-related to this topic.)
> 
> I'm refining the structure which has some missing region.
> I'd like to try BUSTER with "missing atoms", but I cannot find how-to.
> Is there any tutorial or example?
> 
> 
> Cheers,
> 
> Keitaro
> 
> 2011/4/1 Claus Flensburg <claus at globalphasing.com>:
>> Dear Keitaro,
>> 
>> On Fri, Apr 01, 2011 at 02:05:27AM +0900, Keitaro Yamashita wrote:
>>> Dear Claus,
>>> 
>>>> you need a newer BUSTER ;-) ... until then try the 'indirect method':
>>>> 
>>>> % refine ... BusterExtraKwds="FREFLG=1" ...
>>>> 
>>>> to use the reflection with a flag value of '1' as test-set.
>>>> 
>>>> Does that work for you?
>>> 
>>> Thank you for your instruction. It worked!
>> 
>> good
>> 
>>> CRD files have two lines which include FREFLG=, and the latter ones
>>> reflect the input value.
>> 
>> yes, that would be right.
>> 
>>> I confirmed the resultant R-factors differ.
>> 
>> very well, thanks for confirming.
>> 
>>> By the way, when will the new BUSTER be available?
>> 
>> given your timezone, I'd say today ;-) ... but being closer to GMT,
>> I have to say: soon, no no, real soon ;-)
>> 
>> 
>> Regards,
>> 
>> ClAuS
>> 
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