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Thanks to everyone who replied. I managed to get this far in life without straying into P1 before now. As a side benefit, I learned what a Niggli cell is, which is one of my proudest vocabulary acquisitions since learning the term "Papal Nuncio" during the US invas^H^H^H liberation of Panama in 1989. The new cell works great. Kris Tesh wrote: > Bill, > This is no problem. And if you look at it closely, it is what others have > suggested...namely, l -h -k! > Good luck and happy building. > Kris > > ---------------------------------------------------------- > Kris F. Tesh, Ph D | [EMAIL PROTECTED] > Director, Macromolecular Products| 281 362 2300 x144 > Rigaku Americas Corporation | 281 364 3628 fax > 9009 New Trails Drive | > The Woodlands, TX 77381-5209 | http://www.Rigaku.com > USA | > > -----Original Message----- > From: William Scott [mailto:[EMAIL PROTECTED] > Sent: Monday, August 28, 2006 5:37 PM > To: Kris Tesh > Subject: Re: [ccp4bb]: P1 cell conventions > > > Thanks very much. > > That works. > > Bill > > > > William G. Scott > > Contact info: > http://chemistry.ucsc.edu/~wgscott/ > > > On Aug 28, 2006, at 2:18 PM, Kris Tesh wrote: > >> Bill, >> I don't know why Microsoft Outlook removed some of the zeros, but I >> saw it >> as it shipped it out to you. I will try again to include the matrix. >> >> " 0 0 1" >> "-1 0 0" >> " 0 -1 0" >> >> Kris >> >> ---------------------------------------------------------- >> Kris F. Tesh, Ph D | [EMAIL PROTECTED] >> Director, Macromolecular Products| 281 362 2300 x144 >> Rigaku Americas Corporation | 281 364 3628 fax >> 9009 New Trails Drive | >> The Woodlands, TX 77381-5209 | http://www.Rigaku.com >> USA | >> >> -----Original Message----- >> From: Kris Tesh [mailto:[EMAIL PROTECTED] >> Sent: Monday, August 28, 2006 4:15 PM >> To: 'William Scott' >> Subject: RE: [ccp4bb]: P1 cell conventions >> >> >> Bill, >> >> By now you should have had several responses, but if not, here you >> are. If >> you take your cell and multiply by the following matrix you get the >> cell >> 27.93 53.03 71.96 74.57 81.27 75.61. >> >> 0 1 >> -1 0 >> 0 -1 0 >> >> Try this and see if it helps you. The problem is that there are 2 >> standard >> conventions for triclinic cells which are both accepted by some but >> not all. >> >> Kris >> >> ---------------------------------------------------------- >> Kris F. Tesh, Ph D | [EMAIL PROTECTED] >> Director, Macromolecular Products| 281 362 2300 x144 >> Rigaku Americas Corporation | 281 364 3628 fax >> 9009 New Trails Drive | >> The Woodlands, TX 77381-5209 | http://www.Rigaku.com >> USA | >> >> -----Original Message----- >> From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On >> Behalf Of >> William Scott >> Sent: Monday, August 28, 2006 3:28 PM >> To: [email protected] >> Subject: [ccp4bb]: P1 cell conventions >> >> >> *** For details on how to be removed from this list visit the *** >> *** CCP4 home page http://www.ccp4.ac.uk *** >> >> >> Hi folks: >> >> I was attempting to run eden on a dataset collected in P1. I got the >> following error message: >> >> ERROR: By convention, crystallographic angles should all be <= 90 or >>> = 90. >> >> >> The cell I have been using is the following: >> >> CRYST1 53.030 71.963 27.926 98.63 104.39 74.57 P 1 >> >> Neither CNS nor any CCP4 program I have used thus far has complained >> about this cell, but now I am worried. >> >> Is it in fact a problematic cell? >> >> >> Thanks. >> >> Bill >> >> >> >> >> >> William G. Scott >> >> Contact info: >> http://chemistry.ucsc.edu/~wgscott/ >
