Distances compare

distances compare

Parameters

selection=string

(default: none)

Description

This command looks for distance restraints with identical assignments and compares their distance limits. For every selected distance restraint other selected restraints to the same atom pair are searched. If the information level is full (info=full), then the two distance bounds and the restraint indices are listed for each pair of restraints with identical assignments. A summary histogram shows the number of restraint pairs with identical assignments as a function of the distance bound difference, computed as a percentage relative to the distance limit of the first of the first restraint of each pair.

This command can be useful for the comparison of two differently calibrated distance restraint files, where the second file has been loaded with the "read upl file append" command.