What are the units of this

HADDOCK
1

The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to HADDOCK – Bonvin Lab

Cluster 2

HADDOCK score

-72.5 +/- 2.9

Cluster size

22

RMSD from the overall lowest-energy structure

2.5 +/- 0.1

Van der Waals energy

-48.6 +/- 5.4

Electrostatic energy

-164.4 +/- 39.5

Desolvation energy

3.3 +/- 1.8

Restraints violation energy

57.1 +/- 38.4

Buried Surface Area

1355.7 +/- 59.8

Z-Score

-1.9…Tell me the units that i can used in it.

2

Dear user,

I would rely on the HADDOCK score, which is the weighted sum of:

  • Van der Waals energy
  • Electrostatic energy
  • Desolvation energy
  • Restraints violation energy
  • Buried Surface Area

RMSD from the overall lowest-energy structure, compare this cluster conformation against the lowest energy structure
Z-Score compare the cluster HADDOCK score against all other models HADDOCK scores.

HADDOCK score is expressed in an arbitrary unit

Cheers

3

HADDOCK score

Arbitrary units

RMSD from the overall lowest-energy structure

Ångstroms

Van der Waals energy

kcal / mol

Electrostatic energy

kcal / mol

Desolvation energy

kcal / mol

Restraints violation energy

kcal / mol

Buried Surface Area

Squared Ångstroms