mmtfPyspark.filters.secondaryStructure module

secondaryStructure.py

This filter returns entries that contain polymer chain(s) with the specified fraction of secondary structure assignments, obtained by DSSP. Note, DSSP secondary structure in MMTF files is assigned by the BioJava implementation of DSSP. It may differ in some cases from the original DSSP implementation.

class SecondaryStructure(helixFractionMin=0.0, helixFractionMax=1.0, sheetFractionMin=0.0, sheetFractionMax=1.0, coilFractionMin=0.0, coilFractionMax=1.0, exclusive=False)[source]

Bases: object

The default constructor returns entries that contain at least one polymer chain that matches the criteria. If the “exclusive” flag is set to true in the constructor, all polymer chains must match the criteria. For a multi-model structure, this filter only checks the first model.

Attributes

helixFractionMin (float) minimum value for helix fraction [default: 0.0]
helixFractionMax (float) maximum value for helix fraction [default: 1.0]
sheetFractionMin (float) minimum value for sheet fraction [default: 0.0]
sheetFractionMax (float) maximum value for sheet fraction [default: 1.0]
coilFractionMin (float) minimum value for coil fractions [default: 0.0]
coilFractionMax (float) maximum value for coil fractions [default: 1.0]
exclusive (bool) exclusive flag [False]

Methods

__call__(t) Call self as a function.