CYANA Command: distances calculate: Difference between revisions

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== Parameters ==
== Parameters ==


; first=''string''                 (required)
; first=''[[atom selection]]'': (required)
; second=''string''               (required)
; second=''[[atom selection]]'': (required)
; levels=''integer range'': (default: -99999..99999)
; levels=''integer range'': (default: -99999..99999)
; distance=''real range'': (default: 0.0..99999.9)
; distance=''real range'': (default: 0.0..99999.9)
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== Description ==
== Description ==


This command lists interatomic distances between atoms selected by
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 given range of ''levels'' are considered. If structures have been read and selected, then only those atom pairs with a corresponding average distance in the given ''distance'' range are considered.<br>
the '''first''' and '''second''' atom selection. Only those atom pairs with
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 given ''distance'' range. 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.
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.

Latest revision as of 12:48, 13 August 2009

Parameters

first=atom selection
(required)
second=atom selection
(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 given range of levels are considered. If structures have been read and selected, then only those atom pairs with a corresponding average distance in the given distance range 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 given distance range. 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.

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