CrystalMaker Guide: Measuring Distances & Angles

Measuring distances & angles

The toolbar contains various tools which let you measure individual distances and angles in your structure:-

Bond Distance

In-plane distance

Bond Angle

Torsion Angle

In-plane angle

Generating a Bond Distance/Angle Report File

The File > Export > Bond Data command generates a text file containing a listing of all the atoms in the currently-displayed structure, plus a summary of bond distances and angles for each of the crystallographic sites.

Performing a Bond Search

You can display a summary of bond distances around a specified site, or group of sites, using the Transform > List Bonds command. A dialog box prompts you to specify which sites to measure from and to define a maximum search radius. After the bond search has been completed, tables of distances are displayed in the Output Window (Windows > Output). (You can opt for a concise output which lists the number of atoms found as a function of distance from the specified central atom(s).)

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