OERamachandranPlot

class OERamachandranPlot

This class represents OERamachandranPlot that stores data of a Ramachandran plot.

Example of OERamachandranPlot depiction

Constructors

OERamachandranPlot() -> OERamachandranPlot

Default constructor that creates an empty OERamachandranPlot object.

OERamachandranPlot(rhs: OERamachandranPlot) -> OERamachandranPlot

Copy constructor.

AddMolecule(mol: Union[OEGraphMol,OEMol,OEQMol]) -> bool

Adds the molecule to the plot with default style.

mol: The macro-peptide of which backbone dihedral phi (\(\phi\)) and psi (\(\psi\)) angle pairs are added to the plot. The residues of the molecule have to be perceived beforehand.

AddMolecule(mol: Union[OEGraphMol,OEMol,OEQMol],
            outmarker: OEPlotMarker, inmarker: OEPlotMarker) -> bool

Adds the mol to the plot with the given style.

mol: The macro-peptide of which backbone dihedral phi (\(\phi\)) and psi (\(\psi\)) angle pairs are added to the plot. The residues of the molecule have to be perceived beforehand.
outmarker: The style that is used to render data points with OERamaCategory_Outlier category.
inmarker: The style that is used to render data points with OERamaCategory_Favored or OERamaCategory_Allowed category.

AddRamachandran(rama: OERamachandranAnalysis, label: str,
                marker: OEPlotMarker) -> bool

Adds the data of the given OERamachandranAnalysis object to the plot with the given style and interactive label.

rama: The OERamachandranAnalysis object
label: The label that will be displayed in hover mode if the (\(\phi\), \(\psi\)) value pair stored in the OERamachandranAnalysis object is an outlier.
marker: The style that is used to render the data point on the plot.

NumDataPoints(ramatype: int, category: int) -> int

Returns the number of data points stored in the OERamachandranPlot object with the given type and category.