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Using Gabedit to plot NBO via the NBO2Molden interface

Wenli Zou
zouwl@mail.utexas.edu


NBO2Molden saves NBO graphic files (*.31 ~ *.40) in Molden format, then you can plot NBO using GabEdit.

https://webspace.utexas.edu/wz838/n2m.zip



On Mon Feb 22 '10 3:14am, Solntsev Pasha wrote
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>I can recommend you consider Gabedit program. You can very easy create simple input file and add additional keywords yourself. Also you can very ease build molecule or import coordinates from almost any chemical format like pdb, cif, xyz .... Also, you can make almost everything with MO. I am not sure about NBO. Also, if you find any bug or have proposition for additional functionality: just write e-mail to author. He reacts very quickly and improvements will be implemented as soon as possible. I prefer to use Gabedit like my main tool for quantum chemistry, but wxmacmolplt has very good feature. It cans edit coordinates of symmetry unique atoms only. I you very often use same keywords and you have some skills with C programming language you can add these keywords to your default settings.

>Best, Pavel.


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