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Distance-Fluctuation (DF) Analysis is a Python tool that performs analysis of the results of a MD simulation using the Distance Fluctuation matrices (DF), based on the Coordination Propensity (CP) hypothesis. Specifically, low CP values, corresponding to low pair-distance fluctuations, highlight groups of residues that move in a mechanically coordinated way. The script can analyze a MD trajectory and identify the coordinated motions between residues. It can then filter the output matrix based on the distance to identify long-range coordinated motions.


What are DF matrices?

The analysis of the results of a MD simulation can performed using the Distance Fluctuation matrices (DF), based on the Coordination Propensity hypothesis:

DF Analysis

low CP values, corresponding to low pair-distance fluctuations, highlight groups of residues that move in a mechanically coordinated way.

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