[phenixbb] high resolution Anomalous map

Nathaniel Echols NEchols at lbl.gov
Tue Dec 22 21:40:19 PST 2009

On Dec 22, 2009, at 8:36 PM, vennila Natesan wrote:
> How do we create anomalous map using high resolution
> reflections? For example, if we have 2.2A resolution data
> (i.e 20-2.2A), i want to know how to create the anomalous map
> for the same dataset but from 2.4-2.2A resolution range.

I don't think there is a single-step method for this right now.  The easiest alternatives:

1) From the command-line, I think this will work:
	phenix.reflection_file_converter --resolution=2.2 --low-resolution=2.4 --mtz=subset.mtz data.mtz
	phenix.model_vs_data subset.mtz model.pdb --map-type=anomalous
(which will produce map coefficients in MTZ format)
If you run into problems, typing the command name alone will print out a list of options.

2) From the GUI: use the reflection file editor to output the resolution range you want, then the "Create maps" app to generate an anomalous map (in either MTZ or XPLOR format).  I will add resolution limits to the latter program soon.

However, I think a map calculated for 2.4-2.2A is going to look extremely distorted.

Nathaniel Echols
Lawrence Berkeley Lab
NEchols at lbl.gov

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