Thanks, Eleanor!
what i really want to do with this script is to compare ligand binding
sites from many structures in several space groups. So, I want to move
coordinates and density onto one reference molecule. Since we ran into
issues, I used this dimer structure as a simple test case.
The scrip
In coot, select.
Validate > Difference Map Peaks > Find Peaks Above 4 r.m.s.d > [Find Peaks]
What do you see?
Always remember, the real-space representation of your Rwork is the Fo-Fc map.
The biggest peak or valley in this map is usually dominating your Rwork/Rfree.
If you feel your Rwork/R
Just a friendly reminder that the registration for the upcoming CCP4/APS School
will close on Apr 15th, 2019. Please apply if you plan to attend.
Thanks.
Charles, Garib and Qingping
On 1/3/19 8:09 AM, Qingping Xu wrote:
Dear Colleagues,
We are pleased to announce the 12th annual CCP4 crystal
Hello,
I rather think the model has a problem.
Are there large domains which are invisible in the structure ?
Is it possible that the data are twinned ?
Did you use TLS refinement to account for anisotropy ?
Just cutting the resolution will probably not help, unless
On 25/03/19 04:57, Jan Abendroth wrote:
>
> thanks for the feedback. Suggestions like coot or pymol won't work for
> us well, since we will have to do this with dozens of
> structures/maps.So, I'd rather have this scripted.
>
Do you think that Coot cannot be scripted? It can. See Section 6.20 of
t
As I understand helical assembly, the data some time is anisotropic (any
one or two a*,b* or c* has more diffraction than other), which may be
responsible for your high Rfactors. You can crop the data to the resolution
using softwares.
Regards
Sharan
On Mon, Mar 25, 2019, 8:17 AM Andreas Förster
Yeah, good stuff:
http://www.auspex.de/
All best.
Andreas
On Mon, Mar 25, 2019 at 10:45 AM CCP4BB <
193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote:
> Even if you can't see them, it may be worthwhile investigating with Auspex
> (Parkhurst, Thorn, Winter & Waterman - sorry, I can't reme
Hmm - I find maprot extremely confusing, but remember a wrkmap does not use
any symmetry so maybe that is why some is lost.
I would have done this, but I havent tested it. And the documentation is
SERIOUSLY confusing!!
Do I understand you want to ADD the density for mol B to that of Mol A
mapma
Even if you can't see them, it may be worthwhile investigating with Auspex
(Parkhurst, Thorn, Winter & Waterman - sorry, I can't remember the reference
off-hand). There's an easy to use webserver somewhere that runs it...
Harry
--
Dr Harry Powell
> On 25 Mar 2019, at 09:03, herman.schreu...@san
Dear ???,
Do you have any ice rings (even hardly visible ones) in your diffraction data?
Best,
Herman
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von StrBio
Gesendet: Sonntag, 24. März 2019 05:17
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] [ccp4bb] Refinement
ALL.
I have
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