anomalous difference map demonstration in pymol
Hi, I have used anomalous data to do refinement. The crystal diffracts to 3.5A. The resulting mtz file shows good anomalous density around the heavy atoms. Now I want to demonstrate the density in Pymol. Does anyone know how to generate the map use the map file in MTZ format in Pymol? Thanks!
Hi, start new PHENIX GUI by typing from the command line: phenix Then click on "Create maps" - that will allow you to compute and output anomalous difference maps in X-plor format. You need to use the latest version for this: http://www.phenix-online.org/download/nightly_builds.cgi Pavel. On 9/29/09 3:48 PM, crystallogrphy wrote:
Hi, I have used anomalous data to do refinement. The crystal diffracts to 3.5A. The resulting mtz file shows good anomalous density around the heavy atoms. Now I want to demonstrate the density in Pymol. Does anyone know how to generate the map use the map file in MTZ format in Pymol?
Thanks! ------------------------------------------------------------------------
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On Sep 29, 2009, at 3:59 PM, Pavel Afonine wrote:
start new PHENIX GUI by typing from the command line:
phenix
Then click on "Create maps" - that will allow you to compute and output anomalous difference maps in X-plor format.
alternately, "phenix.create_maps" will launch the program directly. ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]
participants (3)
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crystallogrphy
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Nathaniel Echols
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Pavel Afonine