You are reading the documentation for version 1.5 of OpenStructure. You may also want to read the documentation for: 1.1 1.2 1.3 1.4 1.6 1.7 1.7.1 1.8 1.9 1.10 1.11 2.0 2.1 2.2 devel

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)

Contents

Search

Enter search terms or a module, class or function name.

Previous topic

lga - Find 3D similarities in protein structures

Next topic

io - Input and Output of Sequences, Structures and Maps

You are here