compute_DockQScore¶

static StructureSimilarity.compute_DockQScore(fnat, lrmsd, irmsd, d1=8.5, d2=1.5)[source]¶

Compute the DockQ Score.

Parameters:

Fnat (float) – Fnat value
lrmsd (float) – lrmsd value
irmsd (float) – irmsd value
d1 (float, optional) – first coefficient for the DockQ calculations
d2 (float, optional) – second coefficient for the DockQ calculations

Returns:

float – dockQ value