Hi Pavel,
you should add to the explanation what /==1 and !=1 are, as the majority
of people don't know.
/
== : equal
!= : not equal
Maia
/
/
Pavel Afonine wrote:
> Hi Regina,
>
> this subject was discussed on PHENIX bulletin board some time ago:
>
> http://www.phenix-online.org/pipermail/phenixbb/2009-December/003074.html
>
> I think this answers your question; please let me know otherwise.
>
> Also, I'm not sure what you mean by "(except that refinement will fail
> if the special position atoms are not a separate group in
> refinement)". If something fails in phenix.refine then I would to know
> about it so I (or someone else) can fix it asap. We can discuss it
> off-list.
>
> Pavel.
>
>
> On 3/23/10 1:37 PM, Regina Kettering wrote:
>> Hello all.
>>
>> I have a refinement that includes atoms at special positions, am
>> unsure how to delineate them in CCP4 vs. PHENIX programs. According
>> to the information, for CCP4 you can reduce the occupancy by the
>> appropriate amount, depending on the axis (2-fold to 0.5, 3-fold to
>> 0.33, etc). However, I have not been able to determine whether
>> PHENIX uses this same convention (except that refinement will fail if
>> the special position atoms are not a separate group in refinement).
>> My refinement uses PHENIX TLS, so I would rather continue using PHENIX.
>> Thanks in advance.
>> Regina Kettering
>>
>>
>>
>
>
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