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On Fri, 15 Dec 2006, William Scott wrote: > I've tried to give them phases. They won't take them. in principle, the .cif can take anything, can't it? has anyone read the lastest-greatest PDB rules for .cif files? and another thing : when they ask "is this .cif ok?" an important way to answer that is to run the EDS on the .cif somehow b/c that's all linked up in the end. unless things have changed, i'm pretty sure EDS takes F's _and_ I's - not sure about TLS tensors. you might notice that means only one data set per .cif, and i THINK there's one .cif per entry - even when you have exptl. phases, which is a dilemma... unless there are any suggestsions... -bryan EDS: http://eds.bmc.uu.se/eds/
