XCrySDen --
(X-Window) CRYstalline Structures and DENsities

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HOWTO Measure

How To Measure Distances, Angles, and Dihedrals

At the bottom-left of XCrySDen main window the [AtomInfo], [Distance], [Angle], and [Dihedral] buttons are located (I hope their names are self explanatory). By pressing one of these buttons the corresponding quantity can be measured. The following window will appear:
[Measure Window]

This window displays the info of three selected atoms (an angle was measured). The first field after the Selected Atom No.1: string is the sequential index of the atom (i.e. atom ID), the second field is the atomic symbol, the third is the atomic number, and then the Cartesian coordinates in ANGSTROM units follow. The three buttons at the bottom of the window have the following meaning:
Pressing the button, upon the selection of requested number of atoms, reports the measured quantity.
Pressing the button will deselect the currently selected atoms, and prepare for a new measurement.
By pressing the button the Measure window will be closed, i.e., end of measurement.

Useful hints:
  • while being in measure-mode, the display-mode cannot be changed
  • do not measure in space-fill display-mode (doesn't work well)
  • you can rotate the structure while being in measure-mode
  • distances are measured in ANGSTROMS
  • angles are measured in DEGREES

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This document was last modified on Tue 29 Oct 2019 12:29:45 PM CET