Dear all,
I have a dataset at P321 space group. And I want to reindex from (h,k,l)
to (k,h,l) or (h,k,-l), because I want to merge this dataset to the
native dataset.
At first, I used the "reindex" program in CCP4i, and got an error:
(either for (k,h,l) or (h,k,-l))
================================================
Data line--- reindex HKL h, k, -l
Data line--- end
$TEXT:Warning: $$ comment $$
WARNING: !!!! Reindexing matrix INVERTS hand !!!!
$$
REINDEX: !!!! You are NOT allowed to do this - Changing all signs
in reindexing matrix
Times: User: 0.0s System: 0.0s Elapsed: 0:00
=================================================
Could you please tell me the reason?
At last, I converted the mtz file to CNS format, and write a script to
exchange the h and k, and converted to mtz file.
When I tried to use "cad" to merge this dataset to the native dataset,
if I chose "Automatically check and enforce consistent indexing between
different files",
the index would be changed back to the original index. Why?
Thank you very much for your attention.
Best wishes,
Qixu Cai
