simbad.mr.anomalous_util module¶

Class to run an anomalous phased fourier on MR results

class AnodeSearch(mtz, output_dir, mr_program)[source]¶

Bases: object

An anomalous phased fourier running class

Attributes

mtz	The input MTZ file
output_dir	The path to the working directory

Methods

anode(input_model)
cleanup()
mtz2sca()
run(model)	Function to run SFALL/CAD/FFT to create phased anomalous fourier map
search_results()	Function to extract search results
shelxc()

anode(input_model)[source]¶

cleanup()[source]¶

mr_program¶

The molecular replacement program to use

mtz¶

The input MTZ file

mtz2sca()[source]¶

output_dir¶

The path to the working directory

run(model)[source]¶

Function to run SFALL/CAD/FFT to create phased anomalous fourier map

search_results()[source]¶

Function to extract search results

shelxc()[source]¶