MOLDRAW: a program to display and manipulate molecular and crystalline structures

 

by Piero UGLIENGO  University of Torino - Dipartimento Chimica. Via P. Giuria 7 -10125 Torino. ITALY

MS Windows (Linux & Mac OS X) - 
http://www.moldraw.unito.it  

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Topics

New structure
Saving
Merging
Perspective
Crystal cell
Crystal box
Manipulation
Gaussian98
CRYSTAL
MOPAC
VASP
Nice pictures
Chime structures
Jmol structures
Viewing
Transform view
Planes
Clipping on Z
Hide planes
Hide circle
Hide sphere
Hide atom types
Display all hidden

Clipping complex structures


 

Some structures can be rather complex so that basic structural motifs are obscured by the excessive number of atoms/bonds represented. For instance, anybody knows that diamond has six-membered ring of carbon atoms in a chair conformation which are mutually linked together. However a piece of diamond crystal  looks quite complex, as in the following picture:

 

 

To highlight the basic motif go to the (View--->Z-clipping...) menu. A dialog pops up in which the user can define the height of both the front and the back clipping planes. In the example shown below, the front height is 1.8 Angstrom and the back height is -0.2 Angstrom above and below the structure center of masses. This means that a virtual slice of 2.0 Angstrom thick is defined and all atoms which are outside that virtual slice are hidden.  Rotating the structure will not rotate the two clipping planes, so that atoms previously hidden will enter the displayed area.

 

 

The expected diamond structural feature is now clearly visible. To view again the whole structure go to the (View--->Z-unclipping) menu.


 


 


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