MOLDEN VRML orbital/electron density service


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Before you use this this service, make sure you have the following properly setup:

* VRML browser

I suggest you download the free VRML browser: Cortana (Windows, Mac) and Freewrl (Linux).

* Add the following line to your line to you Options -> General Preferences -> Helpers:


           In general:

              x-world/x-vrml; "vrml-viewer name" %s

           Using the Cosmoplayer:

              x-world/x-vrml; Plug In: libcosmoplayer.so

           Using the Silicon Graphics Graphics Library

              x-world/x-vrml; webspace %s

           Using a standard X version

              x-world/x-vrml; vrweb %s
* You have a browser which supports client-side file upload (Netscape, version 2.0b2 and up)

* Gaussian output files must have been created using certain keywords. Mopac .gpt files also have certain restrictions.

Have a look at the Molden VRML Gallery.



Submission Form



Gamess-US/UK, Gaussian outputfile *, Gaussian Cube file, MOPAC .gpt file
Gaussian Cube
Contour Value GridSize
Plotfunction
Density
Mol. - Atomic Density Oriented Atomic Density
Electrostatic Potential
Orbital
Orbital Number,
HOMO, LUMO
VRML
Compress VRML
VRML2.0


Gijs Schaftenaar / schaft@cmbi.ru.nl