[phenixbb] inverting a set of phase angles

Terwilliger, Thomas C terwilliger at lanl.gov
Thu Apr 19 10:42:09 PDT 2012

Hi Blaine,

I don't think we have any tool that will do this in a general way, no.   I can think of several possibilities of what you might want to do:

(1) Change phases corresponding to swapping all anomalous differences. I think that this is not possible without having access to the original data and sites because the phases come partly from anomalous differences and partly from the heavy-atom substructure.

(2) Change phases corresponding to inverting heavy-atom substructure.  This is done automatically in Phaser when you run SAD phasing (it can output both sets of phases).

(3) Change phases corresponding to inverting the structure.  This one is easy but doesn't seem likely to be interesting or useful.

Would you be wanting one of these or something else?
All the best,
Tom T

From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Mooers, Blaine H.M. (HSC) [Blaine-Mooers at ouhsc.edu]
Sent: Thursday, April 19, 2012 10:53 AM
To: phenixbb at phenix-online.org
Subject: [phenixbb] inverting a set of phase angles

Does phenix have a reflection file utility for correctly inverting a set of phase angles?

Blaine Mooers
Assistant Professor
Department of Biochemistry and Molecular Biology
University of Oklahoma Health Sciences Center
S.L. Young Biomedical Research Center Rm. 466

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