This document is for OpenStructure version 1.6, the latest version is 2.9.0 !

cadscore - Compare protein structures by difference between physical contacts

CADScore(model, reference, max_iter=300)

Calculates global and local atom-atom (AA) CAD Scores

Parameters:
  • model (EntityView or EntityHandle) – The model structure.
  • reference – The reference structure
  • max_iter – Optional. The maximum number of iteration for the tessellation algorithm before giving up. By default 300
Returns:

The result of the CAD score calculation

Return type:

CADResult

Raises:

FileNotFound if any of the CAD score exacutables could not be located.

Raises:

RuntimeError if the calculation failed

class CADResult(globalAA, localAA)

Holds the result of running CAD

globalAA

The global CAD’s atom-atom (AA) score

localAA

Dictionary containing local CAD’s atom-atom (AA) scores.

Type:dictionary (key: chain.resnum (e.g.: A.24), value: CAD local AA score (see CAD Documentation online)

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Contents

Documentation is available for the following OpenStructure versions:

dev / 2.9.0 / 2.8 / 2.7 / 2.6 / 2.5 / 2.4 / 2.3.1 / 2.3 / 2.2 / 2.1 / 2.0 / 1.9 / 1.8 / 1.7.1 / 1.7 / (Currently viewing 1.6) / 1.5 / 1.4 / 1.3 / 1.2 / 1.11 / 1.10 / 1.1

This documentation is still under heavy development!
If something is missing or if you need the C++ API description in doxygen style, check our old documentation for further information.