No, the point is: uniqueify manages to not /alw//ays/ do this.
I suppose I'm really asking: who wants an example file to debug it?
Because we have failed utterly.
Frank
On 05/04/2018 12:04, Eleanor Dodson wrote:
You need to be a bit more specific! - unbiqueify is meant to do this..
I didnt know CAD would generate indices not in the input file, unless
you asked to generate a full set of FreeR terms, when the job I
thought ran uniqueify?
Eleanor
On 5 April 2018 at 11:52, Frank von Delft <frank.vonde...@sgc.ox.ac.uk
<mailto:frank.vonde...@sgc.ox.ac.uk>> wrote:
Hello - can anybody shed light on this mystery:
We need (for PanDDA analysis) a lot of datasets each to have the
complete set of low resolution indices, whether measured or not.
(Refmac adds the estimates as DFc, which is crucial when comparing
maps.)
In ccp4, there are two obvious ways to get these indices complete:
* uniqueify
* CAD using the keyword "RESOLUTION FILE 1 999 <highres>" (999
is the low resolution limit).
Mystifyingly, in ~1% of datasets, one or the other route misses
one or two indices. Our work-around is to go belt-and-braces and
run both for each dataset.
It does however remain a bug. Does anybody have any idea what's
happening? We can send example datasets to any volunteers who
want to fiddle with it.
phx
