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PanDDA — (Multi-dataset) Density Analysis

Aim: To identify the presence of unique low-occupancy crystallographic states, and make it possible to build a model of the new state.

  • Density analysis with pandda.analyse:
    Identify datasets containing unique states
    Event maps
    Reveal partial-occupancy states
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PanDEMIC — (Multi-dataset) Structural Analysis & Modelling

Aim: To improve modelling and analysis in structural determination.

  • Disorder analysis with pandemic.adp:
    ECHT analysis
    extract flexibility/dynamics from experimental B-factors