Distances calculate

distances calculate

Parameters

first=string (required)

second=string (required)

levels=integer range

(default: -99999..99999)

distance=real range

(default: 0.0..99999.9)

Description

This command lists interatomic distances between atoms selected by the first and second atom selection. Only those atom pairs with a residue number difference in the range defined by the levels parameter are considered. If structures have been read and selected, then only those atom pairs with a corresponding average distance in the range defined by the distance parameter are considered.

The command reports the average distance, its standard deviation, minimal value and maximal value in the selected structures, as well as the number of structures in which the distance lies in the range defined by the distance parameter. For each selected structure, the distance value is represented schematically by a - sign if the distance is shorter than the lower bound of the distance range, by a * sign if it is within the bounds of the distance range, or by a + sign if it is longer than the upper bound of the distance range.