As I am sure you know -
if you generate experimental phases from isomorphous or anomalous
scatterers the differences between the reflection pairs can be equally well
described by sites at (x,y,z) or (-x,-y,-z) .
In addition many spacegroups allow coordinates to be related to several
alternative
The -origin-hand option is also useful for comparing molecular replacement
solutions that may have different origins.
I think the slides in Andrey Lebedev's presentation help to visualise this
problem (specifically slides 49 & 50).
I don't know for sure, but I think the -origin-hand thing would be for heavy
atom work where both enantiomers of the solution can fit the data. Cheers,
Jon.C.
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Original Message
On 18 Mar 2022, 04:02, 付兴科_201928000807036 wrote:
> Dear Colleagues,
>
Dear Colleagues,
In cysmmatch of CCP4, there is a keyworded input，“-origin-hand”. The
solution with "-origin-hand" is very different from the solution without
"-origin-hand". What's the mean of "origin shif" ? How does it work?
The reference page is
Dear Colleagues,
In cysmmatch of CCP4, there is a keyworded input，“-origin-hand”. The
resolution with "-origin-hand" is very different from the resolution without
"-origin-hand". What's the mean of "origin shif" ? How does it work?
The reference page is
