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Re: [Imgcif-l] ImgCIF Densiry Maps
- To: The Crystallographic Binary File and its imgCIF application to image data <imgcif-l@iucr.org>
- Subject: Re: [Imgcif-l] ImgCIF Densiry Maps
- From: David Brown <idbrown@mcmaster.ca>
- Date: Thu, 22 Mar 2007 15:32:24 -0400
- In-Reply-To: <4602D591.5050005@niehs.nih.gov>
- References: <4602C0BF.3080703@niehs.nih.gov> <4602C601.7060308@mcmaster.ca><4602D591.5050005@niehs.nih.gov>
Joe Krahn wrote: >What about equation forms? It is important to define more than just the >space group, because non-standard settings can be useful in some cases. > The Hall symbol is a space group name (symbol) that specifies all possible settings of the 230 regular space groups. It can easily be expanded into the list of the expressions of symmetry operations. >It is also useful to include matrix+vector for such things as a >spherical asymmetric unit from a 72-fold symmetric virus map. If nobody >is working on it, maybe I should go ahead and write down a few >alternatives and check opinions of other macro-molecular crystallographers. > This would be useful. I assume that the existing format could be extended using notation such as x/72,y-56/72 etc. CIF does have definitions for symmetry operations in higher dimensions, but not, I believe, for non-crystallographic symmetries David Brown
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