Mold En

MOLDEN

Cristina Scripcaru 1r Química UdG, curs 2008/09 [email protected]

Molden is a free visualization program for molecular structures, written by G. Schaftenaar.

Revision History   



  

March 97 - First b18 distribution , version 3.2 July 97 - Revised README, new revision of version 3.2 compiled April 98 - Revised help file, new version 3.3, CygWin B19.1 and EGCS 1.02 compilers used, performance improvements August 98 - New version 3.4 from August 1998, CygWin B19.3 and PGCC 1.03 compilers used, again performance improvements on Pentium and Pentium Pro machines. November 99 - New version 3.6 Februari 2000 - New version 3.6 , CygWin B20 and gcc2.95.2 November 2000 - New version 3.7 , CygWin B20 and gcc2.95.2

MAJOR FEATURES 





Reads output from the ab initio packages Gamess (US) and Gaussian and from semi-empirical packages such asMOPAC, and supports a number of other formats. Displays molecular orbitals or electron density as contour plots or 3D grid plots and output to a number of graphical formats. Animates reaction paths and

Molecular Builder/Editor

The Z-Matrix Editor The Z-Matrix Editor in molden lets the user create and/or manipulate stuctures on screen. Additional helper applications may be used to optimise the stuctures on a force field level.

MOLDEN VRML

MOLDEN VRML Cytosine DMA Electrostatic Potential mapped

MOLDEN VRML Spindensity: Alpha Density Minus Beta Density

MOLDEN VRML Electrostatic potential color coded on an isodensity surface

Roundup 

Molden is free for the academia



3000 registered users

Bibliography 



http://www.cmbi.kun.nl/~schaft/ molden/molden.html http://www.cmbi.kun.nl/~schaft/ molden/moldenservice.html