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*To*: "ccp4bb@dl.ac.uk" <ccp4bb@dl.ac.uk>*Subject*: Re: Unit cells*From*: Lisa Edberg <edberg@onyx.cmc.uab.edu>*Date*: Tue, 23 Mar 1999 12:59:43 -0600*References*: <E10PTDQ-0002mz-00@nernst.chem.gla.ac.uk>*Sender*: owner-ccp4bb@dl.ac.uk

*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html *** Dear fellow re-indexers, To re-index in the head, figure out how the vectors of the new cell (a', b', c') relate to the original cell (a,b,c). > a=118.806 b=126.818 c=85.610 alpha=90. beta=104.166 gamma=90. > a=128.193 b=127.106 c=85.513 alpha=90. beta=115.994 gamma=90. When transforming from one cell to another, keep the directions in mind so that the signs work out right (beta is the angle between (+) a and (+) c ). a'= -(a + c) : (-) new a is the vector sum of old a and c b' = -b : so the axes are in the same relative hand c '= c Since the indices transform in the same way as the unit cell vectors, the new indices (h', k', l') are related to the original ones (h, k, l) h' = -(h + l) k' = -k l' = l Lisa -- Lisa Edberg (205)934-1611 FAX:(205)934-0480 Center for Macromol. Cryst., Univ. Alabama-Birmingham http://www.cmc.uab.edu/misc/edberg/index.html

**References**:**Unit cells***From:*Chris Gilmore <chris@chem.gla.ac.uk>

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