Hi,
also agreed, but actually doing it proved a lot more tricky than I
initially thought.
For my last structure, which was very anisotropic, I deposited a mmcif
containing 1/ the originial data, 2/the truncated data and 3/ the map.
It proved impossible to create this file with the tools at hand, and
thanks to the globalphasing team, they were able to write a script using
autoproc to do this.
If this routine could be incorporated into the staraniso web site, I'm
sure it would be very used and help the case described here.
All the best
Vincent
ps: I'll be happy to share my procedure if it is helpful to anyone.
Le 30/05/2020 à 17:17, Ian Tickle a écrit :
Also agree, see http://staraniso.globalphasing.org/deposition_about.html .
Cheers
-- Ian
On Sat, 30 May 2020 at 15:58, Robbie Joosten
<robbie_joos...@hotmail.com <mailto:robbie_joos...@hotmail.com>> wrote:
I fully agree. Unfortunately, not everyone does that so cases like
I described will keep appearing.
Cheers,
Robbie
On 30 May 2020 16:40, Eleanor Dodson <eleanor.dod...@york.ac.uk
<mailto:eleanor.dod...@york.ac.uk>> wrote:
My pennysworth. If you find your maps look better after the
anisotroy correction use it, but it may be helpful to those
wo want to mine your data if you deposit the whole sphere..
eleanor
On Sat, 30 May 2020 at 09:36, Robbie Joosten
<robbie_joos...@hotmail.com
<mailto:robbie_joos...@hotmail.com>> wrote:
Hi Everyone,
I've been looking at some recent PDB entries that have
much lower spherical) completeness than reported in the
coordinate file. One reason for this is that the data were
anisotropicly truncated, another reason is some mess-up
with the deposition of the reflection data. There is a lot
of discussion about the former practice and I don't want
to go in to that, but the second one is obviously an
error. Now how do I distinguish these cases?
Sometimes, you can look at the reported number of
reflections and compare that to the deposited reflection
file and you will find that something has clearly gone
wrong. However, the reported number of reflections is not
entirely reliable because of other issues so I'd rather
not use it. If you use PDBpeep (e.g. for 6rjy) you can see
something is wrong, but that is completely visual. Is
there a tool in CCP4 that reports both spherical and
ellipsoidal completeness (on merged reflection data)? That
would make it easy to distinguish such cases.
Cheers,
Robbie
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