Analysis for pi-pi interactions

[centroid-to-centroid distance 4 Å] [centroid-to-centroid shift 3 Å] [-g] [-r=C6,NC5]

The command analyses the \pi-\pi interactions (only stacking interactions for now) for flat regular C6 or NC5 rings and prints information for the ones where the intercentroid distance is smaller than [4] Å and the intercentroid shift is smaller than [3] Å.

  • -g: if any of the rings is fully or partially constructed of symmetry generated atoms, it grows the structure using those symmetry operators.
  • -r: ring content, the defaults are C6 and NC5 rings, the rings are tested for being flat and regular.