How To Measure Distances, Angles, and Dihedrals
At the bottom-left of XCrySDen
main window the
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:
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
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.
- while being in measure-mode, the display-mode cannot be
- do not measure in space-fill display-mode (doesn't work
- you can rotate the structure while being in measure-mode
- distances are measured in ANGSTROMS
- angles are measured in DEGREES