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MDAnalysis 0.11 unifying release user guide

Oliver Beckstein edited this page Jul 24, 2015 · 29 revisions

MDAnalysis 0.11.0 is a substantial release that unifies much of the code base at the cost of some necessary changes to the user API. The key points for adjusting your code accordingly are outlined below. The details are in the Release Notes for 0.11.0.

How to change your code

Suppressing contact matrix progress meter (new quiet keyword)

import MDAnalysis
import MDAnalysis.analysis.distances
import numpy as np
#300 rows of random xyz array data, to simulate coordinates:
random_array_coords = np.float32(np.random.rand(300,3)) 

#before 0.11 release:
#contact_matrix = MDAnalysis.analysis.distances.contact_matrix(random_array_coords, suppress_progmet=False) 
#after 0.11 release:
contact_matrix = MDAnalysis.analysis.distances.contact_matrix(random_array_coords, quiet=False) 
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