(laboratory)
>>> +44 (0) 7981 875 829 (cell/mobile)
>>> j.k.cockcr...@ucl.ac.uk or jeremyk...@gmail.com
>>> http://img.chem.ucl.ac.uk/www/cockcroft/homepage.htm
>>> ***
>>> 6 Wellington Road
>&g
; wrote:
---- Forwarded Message
Subject:Re: [ccp4bb] Question about P3, H3 and R3 space
groups
Date: Wed, 22 Jul 2020 14:41:27 +0100
From: Eleanor Dodson
<176a9d5ebad7-dmarc-requ...@jiscm
***
>> 6 Wellington Road
>> Horsham
>> West Sussex
>> RH12 1DD
>> +44 (0) 1403 256946 (home)
>> ***
>>
>>
>> On Wed, 22 Jul 2020 at 14:51, Nicholas Keep
&
*
>
>
> On Wed, 22 Jul 2020 at 14:51, Nicholas Keep
> wrote:
>
>>
>>
>>
>> Forwarded Message
>> Subject: Re: [ccp4bb] Question about P3, H3 and R3 space groups
>> Date: Wed, 22 Jul 2020 14:41:27 +0100
>> From: Elea
; --
> *From:* CCP4 bulletin board on behalf of David
> Vizarraga Revuelto
> *Sent:* 22 July 2020 12:20
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* [ccp4bb] Question about P3, H3 and R3 space groups
>
> Dear all,
>
> Let me ask a questi
ond Light Source Ltd.
> Diamond House
> Harwell Science & Innovation Campus
> Didcot
> Oxfordshire
> OX11 0DE
> From: CCP4 bulletin board on behalf of David
> Vizarraga Revuelto
> Sent: 22 July 2020 12:20
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] Question about
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
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'
>
o: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Question about P3, H3 and R3 space groups
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 Birb
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
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
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
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