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For demonstration purposes I would like to have some anomalous data sets of structures with specific 'properties' such as all heavy atoms in a particular plane, in special positions etc etc. Easiest thing to do seems to me to calculate data by using an existing protein model, and then adding heavy atoms in particular positions. Problem is, I can't find a program to use for this (and I'm not a programmer myself).
Obviously it is trivial to calculate structure factors, but it is the anomalous signal that I want as well.
Does anyone have a program that does this and that I can use? TIA, Johan -- +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Dr. Johan P. Turkenburg X-ray facilities manager York Structural Biology Laboratory Chemistry Department Phone (+) 44 1904 328253 University of York Fax (+) 44 1904 328266 York YO10 5YW UK Email: [EMAIL PROTECTED] +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
