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