Re: [ccp4bb] Space group R32 and H32

2012-07-31 Thread Gerard Bricogne
t;> arisen from the failure to distinguish the lattice type (the first > >> >> letter of the symbol) from the symbol for the basis system of the > >> >> setting (the final letter after the ':'). > >> >> > >> >> See http://cci.lbl.g

Re: [ccp4bb] Space group R32 and H32

2012-07-31 Thread Ian Tickle
gt;> >> >> >> >> >> Cheers >> >> >> >> -- Ian >> >> >> >> On 27 July 2012 21:09, Bernhard Rupp wrote: >> >>> >> >>> H32 indicates the hexagonal obverse setting (as you list) for a R >>

Re: [ccp4bb] Space group R32 and H32

2012-07-30 Thread Gerard Bricogne
setting, for > >>> which I > >>> will probably get flamed. > >>> The relation between H and R cells is depicted here: > >>> > >>> http://www.ruppweb.org/Garland/gallery/Ch5/pages/Biomolecular_Crystallography_Fig_5-29.htm > >>> > >>&g

Re: [ccp4bb] Space group R32 and H32

2012-07-30 Thread Sebastiano Pasqualato
and vice-versa!). >> >> >> >> Cheers >> >> >> -- Ian >> >> >> On 27 July 2012 21:09, Bernhard Rupp wrote: >> >> >> H32 indicates the hexagonal obverse setting (as you list) for a R >> >> centered trigon

Re: [ccp4bb] Space group R32 and H32

2012-07-30 Thread Ian Tickle
is has been discussed and is explained in the ccp4 tutorials and doc > > afaik, where you can find more detailed info. > > > For proper format in a journal, I would suggest to adhere to the format > > given in the ITC (International tables for Crystallography), I.e. Bravais &g

Re: [ccp4bb] Space group R32 and H32

2012-07-30 Thread Sebastiano Pasqualato
y/Ch5/pages/Biomolecular_Crystallography_Fig_5-29.htm >>>> >>>> This has been discussed and is explained in the ccp4 tutorials and doc >>>> afaik, where you can find more detailed info. >>>> >>>> For proper format in a journal, I w

Re: [ccp4bb] Space group R32 and H32

2012-07-30 Thread Ian Tickle
t;>> Italic, subscripted screw symbols. Note that this is not the format you put >>> it into most programs - their docs help. >>> >>> You can also try my old space croup decoding program to see general >>> positions, operators, matrices and other useful stuff. >&

Re: [ccp4bb] Space group R32 and H32

2012-07-28 Thread Edward A. Berry
er useful stuff. http://www.ruppweb.org/new_comp/spacegroup_decoder.htm HTH, BR -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Theresa Hsu Sent: Friday, July 27, 2012 12:54 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Space group R32 and H32 Dear all I hav

Re: [ccp4bb] Space group R32 and H32

2012-07-28 Thread Ian Tickle
@JISCMAIL.AC.UK] On Behalf Of Theresa > Hsu > Sent: Friday, July 27, 2012 12:54 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Space group R32 and H32 > > Dear all > > I have a confusion on the space group R32 and H32. For a cell parameter of a > = b not equal t

Re: [ccp4bb] Space group R32 and H32

2012-07-27 Thread Colbert, Christopher
You are correct, sir. It is one lattice point for each centered face. So, for the F centered lattices which have a face centered lattice point on all faces you add 3 lattice points to the original primitive lattice point for a total of 4 lattice points. It's all in "the Tables." Cheers, Chris

Re: [ccp4bb] Space group R32 and H32

2012-07-27 Thread Bernhard Rupp
Thanks for the translation, and a correction of the translator: > similar to the face or body centered lattices, which have two lattice points per cell. Is this so? Ortho F and FCC have 4 Bravais vectors All (in full translation) in chapter 5 of BMC. BR

Re: [ccp4bb] Space group R32 and H32

2012-07-27 Thread Colbert, Christopher
gt;> http://www.ruppweb.org/new_comp/spacegroup_decoder.htm >> >> HTH, BR >> >> -Original Message- >> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf >> Of Theresa Hsu >> Sent: Friday, July 27, 2012 12:54 PM >> To: CCP4BB@

Re: [ccp4bb] Space group R32 and H32

2012-07-27 Thread Harry
inal Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Theresa Hsu Sent: Friday, July 27, 2012 12:54 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Space group R32 and H32 Dear all I have a confusion on the space group R32 and H32. For a cell parameter of a = b not equal

Re: [ccp4bb] Space group R32 and H32

2012-07-27 Thread Bernhard Rupp
stuff. http://www.ruppweb.org/new_comp/spacegroup_decoder.htm HTH, BR -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Theresa Hsu Sent: Friday, July 27, 2012 12:54 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Space group R32 and H32 Dear all I

[ccp4bb] Space group R32 and H32

2012-07-27 Thread Theresa Hsu
Dear all I have a confusion on the space group R32 and H32. For a cell parameter of a = b not equal to c, alpha=beta, not equal to gamma, is it considered as R32 or H32? I tried searching the mail list archives but it does not help a beginner crystallographer like me. I also have another basi