CYANA Command: distances check

Parameters

selection=distance restraint selection

(default: none)

Description

Reports for each selected distance restraint a score (Mumenthaler & Braun, 1995) that indicates how well the distance restraint is embedded in the network of all (selected and unselected) distance restraints. Scores are computed only for distance restraints between atoms that are three or more residues apart from each other. For a given distance restraint the score is defined as the sum of the terms 1/((1+k₁)(1+k₂)) over all other distance restraints with both atoms in the same or directly neighboring residues as the two atoms of the restraint under consideration, where k₁ and k₂ denote the absolute residue index differences between the two first atoms and the two second atoms of the two restraints, respectively. A high score indicates that the distance restraint is well supported by other distance restraints. A low score is characteristic of "lonely" and therefore "dangerous" restraints with a potentially high impact on the calculated 3D structure.

Further reading:

• Mumenthaler & Braun. J. Mol. Biol. 254, 465-480 (1995).