Certainly to a mathematician by training P1 is ludicrous - any sensible
being wold set up an 3-D axial system with all axes of equal length and all
angles 90 degrees - I can still remember my disbelief at indexing any
lattice in any other way - E
On Wed, 22 Jul 2020 at 19:18, James Holton wrote:
It took me a long time to realize that the rhombohedral system is
actually a form of centering. Just like C, F, and I, the R lattice type
has extra translation-related points. What is unique about rhombohedral
lattices is that there are two different kinds of "extra" centers. In
C, all you h
The original reference for the H cell is the very first edition of Int.
Tab.:
Hermann, C. (1935). Internationale Tabellen zur Bestimmung von
Kristallstrukturen. Berlin: Gebrueder Borntraeger.
Cheers
-- Ian
On Wed, 22 Jul 2020 at 17:34, Eleanor Dodson <
176a9d5ebad7-dmarc-requ...@jiscmail
Well - yes . I am a true devotee of doctored cells to match something
already in existence in a higher symmetry which has become approximate in
some new manifestation! But I hadnt realised there were official versions
of doctoring..
Eleanor
On Wed, 22 Jul 2020 at 16:29, Jeremy Karl Cockcroft
wrot
The important take-home message in this excellent article is surely the
conclusion:
"The significant amount of programming effort and user frustration caused
by the H3 and H32 space-group symbols is a good example of how time can be
lost by not adopting long-established standards. This is not mea
When I was writing Pointless I had to do all sorts of kludgy things to cope
with the different “conventions” used by ccp4, clipper and cctbx libraries,
scalepack etc. The PDB should have stuck to established conventions to avoid
confusion. And lots of people for some reason seem not to like sp
Hi Eleanor
H3 #143 is (and always has been) a triply-primitive cell setting of P3.
http://img.chem.ucl.ac.uk/sgp/large/143bz1.htm
Cheers
-- Ian
On Wed, 22 Jul 2020 at 14:42, Eleanor Dodson <
176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:
> But surely P3 symmetry ' cell ( a,a,c 90 90 1
But surely P3 symmetry ' cell ( a,a,c 90 90 120) with origin shifts
(⅓,⅔,0), +(⅔,⅓,0) can just be indexed as P3 with
cell (a/sqrt(3), a/sqrt(3), c, 90 90 120) ??
Eleanor
On Wed, 22 Jul 2020 at 14:32, Nicholas Keep
wrote:
> I have an answer from Jeremy Cockcroft the author of the 'Birkbeck'
> Tab
There is a useful article in Computational Crystallography Newsletter 2011, 2,
12-14 that gives some background into the issues surrounding the H3 and H32
symbols:
"Fuzzy space group symbols: H3 and H32
http://www.phenix-online.org/newsletter/CCN_2011_01.pdf
Cheers,
Richard
Dr Richard Gilde
I have an answer from Jeremy Cockcroft the author of the 'Birkbeck'
Tables. Actually Jeremy has been at UCL for a decade or so and they are
hosted from their
Nick
In answer to the question regarding the use of R and H for trigonal
space groups, the letters refer to two distinct types of latti
Two postdoctoral research positions in structural and biophysical
characterization of the human complement system (1.0 FTE)
Job description
The Gros lab at the Bijvoet Centre for Biomolecular studies is currently
seeking two post-doctoral researchers to strengthen our team. The Gr
This is precisely why SHELX always used the coordinates of the general
position (LATT+SYMM) to define the space group rather than a name or number.
George
On 22/07/20 14:15, Ian Tickle wrote:
Hi David
The problem is that the PDB incorrectly used the H lattice symbol
(without consulting any
Hi David
The problem is that the PDB incorrectly used the H lattice symbol (without
consulting any crystallographers AFAIK) for the hexagonal R-centred cell
when it had already been in use for many years for the triply-primitive
setting of P3, so now we have this confusion between MX & XRD/powder
This does seem confusing!
Maybe the International tables have changed, but in my copy spacegroup 143
is labelled P3
Spacegroup 146 is equivalent to P3 with translations 1/3,2/3.2/3 and
2/3,1/3,1/3 is called rhombehedral
This can be indexed with. "a=b=c in the rhombehedral setting" and labelled
R
Dear all,
Let me ask a question about the P3,H3, R3 space group annotations.
I had the idea that H3 was the recommended annotation for the hexagonal
representation of R3 (space group number 146). However, in the Birbeck
space groups web page (attached) H3 is associated with the space group
number
Dear Adewumi Adeyeye,
Please could you let me know (off list) the full xia2 command you were trying
to run, and I can see if I can reproduce the issue.
Cheers,
Richard
Dr Richard Gildea
Data Analysis Scientist
Tel: +441235 77 8078
Diamond Light Source Ltd.
Diamond House
Harwell Science & Inno
Dear Adewumi Adeyeye,
The ccp4i interface to xia2 is no longer supported and I suspect it might
be completely broken. You should be able to process your data using the
ccp4i2 interface though.
Best wishes
-- David
On Wed, 22 Jul 2020 at 10:32, Adewumi Adeyeye <
42fef00af26b-dmarc-requ...@ji
Dear all,
I need assistance with solving my protein structure.
I have attempted (using remote access) to integrate my diffraction images (.h5
format) using xia2 but I keep getting the following error message:
The program run with command: xia2 /dls/i04/data/2020/
has failed with error
Dr. Natesh,
Thank you very much for your suggestion and for sharing the Online
crystallography certificate course link.
Sincerely,
Venkat
On Wed, Jul 22, 2020 at 11:20 AM Natesh Ramanathan
wrote:
> Dear Venkata,
>
> Check with Birkbeck online crystallography certificate course here:
> http://w
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