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

Three atoms plane and best plane


 

Three atoms plane

 

A structure can be aligned in a plane defined by a sequence of three non-collinear atoms.

 

Select the (View-->Three atoms plane...) menu and then clisk three atoms in sequence. After the sequence 1-2-3 of the selected atoms is terminated the whole structure will be aligned in the plane defined by the 1-2-3 sequence.

 

The first selected atom 1 will assume the coordinates: X:-d(1,2); Y:0.0; Z:0.0 whereas the second atom 2 will be put at the origin, i.e. X:0.0; Y:0.0; Z:0.0.

 

The following pictures show two different choices for the 1-2-3 sequence

 


 

 

Best plane through atoms

 

 

By selecting the (View-->Best plane) menu the whole structure will be aligned in the best geometrical plane crossing as many atoms as possible.

 

This is useful to quickly make the best view of a structure


 

 


 


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