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  

Navigate · Version · Site Map · Download · Acknowledgments · About the author
Main features  · Topics  · Running on Linux  · Running on Mac OS X  · Useful Web Links  · License agreement

Topics

New structure
Saving
Merging
Perspective
Crystal cell
Crystal box
Manipulation
Fragments
Cutting planes
Cutting circle
Cutting sphere
Cell editing
Add atoms
Gaussian98
CRYSTAL
MOPAC
VASP
Nice pictures
Chime structures
Jmol structures
Viewing

Moving and rotating atoms and fragments


The user can select a subset of atoms by clicking the Select atom item on the MOLDRAW toolbar. After that, click with the left-button mouse all the needed atoms. When finished close the dialog. From this point on, all the rotations and translations will only act on the selected atoms.

 

The same procedure and effects applies for the selection of molecular fragments. This option is particularly useful for rapidly move part of a structure.

 

The same behaviour is obeyed by the Transform widget.

 

To select again the whole structure  click on left-button mouse the Select all keyword on the toolbar. 

Below is shown the result of translating and rotating the labelled atoms of the actual structure.

 


 


You are here: Home-Navigate-Topics-Manipulation-Fragments

Next Topic: Cutting planes