Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Sweet, Robert
We'll put you to work. BS From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Ian Tickle [ianj...@gmail.com] Sent: Friday, May 02, 2014 7:42 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature Ber

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Ronald E Stenkamp
f Gerard Bricogne Sent: Friday, May 02, 2014 7:17 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature Dear John, What is wrong with honouring Sohnke by using his name for something that he first saw a point in defining, and in investigating the propertie

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Ian Tickle
Bernhard On 2 May 2014 21:51, Bernhard Rupp wrote: > > Nonetheless, this does not necessarily discredit my quest for a > descriptive adjective, and the > absence of such after this lively engagement might indicate that the > question was not quite as > illegitimate as it might have appeared even

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Bernhard Rupp
> namely "chirality-preserving". enantiostatic ;-) ? BR

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Bernhard Rupp
sage- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Gerard Bricogne Sent: Friday, May 02, 2014 7:17 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature Dear John, What is wrong with honouring Sohnke by using his name for some

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Jrh Gmail
gt;>> George >>> >>> >>>> On 05/02/2014 02:35 PM, Jim Pflugrath wrote: >>>> After all this discussion, I think that Bernhard can now lay the claim >>>> that these 65 space groups should really just be labelled the "Rupp" space

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Gerard Bricogne
Dear Jens, I hope I can make a couple more remarks, and then I will keep quiet. The first is that your suggestion that we do use Sohncke's name in relation to these groups may still leave the impression that, as John put it earlier, this name is just a "label". This is where I want

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Jens Kaiser
Bernhard et al, > > > @ Jens: > > > I think the precise and correct term applicable to the "65" should > be pro-chiral spacegroups. They are not chiral by themselves, but > addition of "something" /allows/ for the creation of a chiral object > (i.e. the crystal). > > For a moment I though we h

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Gerard Bricogne
discussion, I think that Bernhard can now lay the claim > >> that these 65 space groups should really just be labelled the "Rupp" space > >> groups. At least it is one word. > >> > >> Jim > >> > >> From: CCP4 bulletin bo

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Bernard D Santarsiero
It well-known in the mathematics community to refer to these as Sohnke groups, or even Jordan-Sohnke groups. Camille Jordan identified them in 1868-1869, and L. A. Sohnke in 1879. William Barlow derived all 230 space groups by adding reflection operations to Sohnke's 65 groups in 1894-1989.

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Jrh Gmail
uot;Rupp" space >> groups. At least it is one word. >> >> Jim >> >> From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Bernhard Rupp >> [hofkristall...@gmail.com] >> Sent: Friday, May 02, 2014 3:04 AM >> To: CCP4BB@JISCMAIL.AC.UK &

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Ronald E Stenkamp
s one word. Jim __ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Bernhard Rupp [hofkristall...@gmail.com] Sent: Friday, May 02, 2014 3:04 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature …

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread George Sheldrick
riday, May 02, 2014 3:04 AM *To:* CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] Confusion about space group nomenclature …. Enough of this thread. Over and out, BR -- Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, German

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Gerard Bricogne
CMAIL.AC.UK] On Behalf Of Jim > Pflugrath > Sent: Friday, May 02, 2014 8:36 AM > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Confusion about space group nomenclature > > After all this discussion, I think that Bernhard can now lay the claim that > these 65 space groups shou

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Bernhard Rupp
I actually meant enantioweird. From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Keller, Jacob Sent: Freitag, 2. Mai 2014 15:43 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature Or "space gRupps?" From: CCP4 bull

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Bernhard Rupp
You guys are enantioqueer. BR From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Keller, Jacob Sent: Freitag, 2. Mai 2014 15:43 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature Or "space gRupps?" From: CCP4 bull

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Keller, Jacob
Or "space gRupps?" From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Jim Pflugrath Sent: Friday, May 02, 2014 8:36 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature After all this discussion, I think that Bernhard can n

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Jim Pflugrath
nhard Rupp [hofkristall...@gmail.com] Sent: Friday, May 02, 2014 3:04 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature …. Enough of this thread. Over and out, BR

Re: [ccp4bb] Confusion about space group nomenclature

2014-05-02 Thread Bernhard Rupp
>@ Ian: Not quite, here's a table giving the complete list of the 3 types: http://pd.chem.ucl.ac.uk/pdnn/symm3/allsgp.htm Yes, this Table is known and agrees with what I wrote. I still do not like, to the point of vehement opposition, the use of enantiomorphic for the entire 65 because of th

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-30 Thread Ian Tickle
> On Tue, 2014-04-29 at 16:12 +0200, Bernhard Rupp wrote: > > > Response to off-board mail: > > > > > > >How about [calling them] non-centro-symmetric space groups, as I > often tell my students? > > > > > > Almost, but not exact enough. > > > > > > The 65 are only a subset of non-centrosymmet

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-29 Thread Jens Kaiser
actually, I'll have to amend that: > Dear Bernhard (and others), > I was looking for catchy combinations of "chiral" or "enantio" and > Latin or Greek words for "support" or "allow" -- until I realized there > is already a name for this very concept, used widely in chemistry: > I think the pre

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-29 Thread Jens Kaiser
Dear Bernhard (and others), I was looking for catchy combinations of "chiral" or "enantio" and Latin or Greek words for "support" or "allow" -- until I realized there is already a name for this very concept, used widely in chemistry: I think the precise and correct term applicable to the "65"

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-29 Thread Ian Tickle
Bernhard The term "enantiomorphic pair" is used consistently in ITC-A to mean one of the 11 pairs of what you previously called "chiral space groups". PersonalIy I would never use the term "chiral" in this context even though it is synonymous with "enantiomorphic" (I would reserved "chiral" for si

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-29 Thread Bernhard Rupp
Response to off-board mail: >How about [calling them] non-centro-symmetric space groups, as I often tell my >students? Almost, but not exact enough. The 65 are only a subset of non-centrosymmetric space groups: Not all enantiogenic (not elements of the 65-set) space groups are centrosymm

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-29 Thread Bernhard Rupp
Hi Fellows, I have bugged now the ultimate authorities including Howard Flack (of Flack parameter fame), and alas, there is no official descriptive adjective for these 65 Söhnke space groups. Chiral is definitely wrong, and so is enantiomorphic, although 22 of the nameless form 11 enantiomo

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-21 Thread Bernhard Rupp
Upon further contemplation: Someone who builds a right-handed helix into a left-handed map is an enantiopath. Enantiopathy can be treated with Enantiomab ® although some people prefer a daily dose of enantiostatins. These generics are made by Irratiopharm. BR

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-21 Thread Ian Tickle
On 21 April 2014 21:57, Bernhard Rupp wrote: > > > So the point is to use a meaningful qualifier that, applied as an > adjective to a space group, describes what happens if that space group acts > on a chiral object. Now the ‘enantio’ creeps in: enantio means other, > opposite, and morphos, gesta

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-21 Thread Ian Tickle
does the ACA Standards > commission have to say? Who has an authoritative answer? Let there be light. > > > > Cheers, BR > > > > > > *From:* Ian Tickle [mailto:ianj...@gmail.com] > *Sent:* Sunday, April 20, 2014 4:52 PM > *To:* b...@hofkristallamt.org >

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-21 Thread Bernhard Rupp
authoritative answer? Let there be light. Cheers, BR From: Ian Tickle [mailto:ianj...@gmail.com] Sent: Sunday, April 20, 2014 4:52 PM To: b...@hofkristallamt.org Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Confusion about space group nomenclature Hi Bernhard My understanding, gl

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-20 Thread Ethan Merritt
On Sunday, 20 April 2014 10:14:56 AM Ethan Merritt wrote: > On Sunday, 20 April 2014 01:35:33 AM Bernhard Rupp wrote: > > Hi Fellows, > > > > > > > > because confusion is becoming a popular search term on the bb, let me admit > > to one more: > > > > What is the proper class name for the 65 sp

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-20 Thread Ethan Merritt
On Sunday, 20 April 2014 01:35:33 AM Bernhard Rupp wrote: > Hi Fellows, > > > > because confusion is becoming a popular search term on the bb, let me admit > to one more: > > What is the proper class name for the 65 space groups (you know, those): > > > > Are > > (a)these 65 SGs the

Re: [ccp4bb] Confusion about space group nomenclature

2014-04-20 Thread Ian Tickle
Hi Bernhard My understanding, gleaned from ITC-A and ITC-B is that the 65 space groups listed here: http://www.ccp4.ac.uk/dist/html/alternate_origins.html that I assume you are referring to, are "enantiomorphic", which is defined as "not possessing improper rotations" (see http://pd.chem.ucl.ac.uk

[ccp4bb] Confusion about space group nomenclature

2014-04-19 Thread Bernhard Rupp
Hi Fellows, because confusion is becoming a popular search term on the bb, let me admit to one more: What is the proper class name for the 65 space groups (you know, those): Are (a)these 65 SGs the chiral SGs and the 22 in the 11 enantiomorphic pairs the enantiomorphic SGs? Or (b)