Thanks Peter. The unfortunate thing is that not all of the programs are able to understand these different notations, and that they preferentially use different ones. It would be nice if we all agreed to standardize. I, personally, have no problem with R 3 2 :H since that is what it really is.
Steve -----Original Message----- From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of Peter Zwart Sent: Monday, December 14, 2009 4:08 PM To: [email protected] Subject: Re: [ccp4bb] H32 or R 3 2 :H Hi Stephen, > R32 > H32 > R32 :H Correct. These are all hexagonal setting. As far as I know, the hexagonal setting of R32 (R32:H) is the first one that comes up in the ITvA as is listed a R32. The rhombohedral/primitive setting of R32 (R32:R) comes second in the ITvA, I guess the first setting takes precedence. H32 is a pdb/ccp4ism. In my cctbx-skewed view, it looks like this: R32 == R32:H (== H32; not supported by the cctbx) R32:R is the primitive setting of R32:H Appending the setting to the space group makes life easier (no ambiguities) and you can do more funky stuff if one has the stomach/need to do so [like "P212121 (a+b,a-b,c)" ]. HTHP Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, New Jersey, USA 08889), and/or its affiliates Direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system.
