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
Export input
Optimization
Frequencies
Import input
ONIOM setup
CRYSTAL
MOPAC
VASP
Nice pictures
Chime structures
Jmol structures
Viewing

Reading Gaussian input file


 

MOLDRAW can read .GJF input Gaussian files in which the geometry is present as cartesian coordinates only. Reading input file in Z-matrix or redundant coordinates is not supported. ONIOM layers (two-layers only), if any, are automatically taken into account.

 

To import the Gaussian .GJF file click Import label on the toolbar and then select the Gaussian input file option from the list of available formats.

 


 


 


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