Wednesday 23 November 2011

Best route from x-files to scala

From: Jacob Keller
Date: 1 November 2011 16:34


Dear Crystallographers,

I would like to transfer data from x-files (HKL2000) into scala, and
think that the best way to do it is to tell HKL "no merge original
index." Is that right, or is "no merge include partials" better?

Jacob

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Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
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From: Phil Evans


I'm not sure about the HKL2000 options, but you can convert .x files using the CCP4 program Combat. Note that Scala is not really suitable for scaling .x files, since they lack important geometrical information needed for the scaling model

Phil


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