Controlling Molden by keywords

Controlling Molden by keywords

Controlling Molden by keywords

Both the Xwindows and the non-Xwindows version of Molden can be controlled by supplying a file containing keywords. In the XWindows mode this is superflous, since nearly everything can be controlled, either interactively or by commandline flags, but for generating graphics instructions other than Xwindows, say Postscript it is the only way.

Keyword topics:

SPECIFICATION_OF_TERMINAL/PLOTTER_TYPE

DEFINITION_OF_PLOTFUNCTION

DEFINITION_OF_THE_PLOTPLANE

DEFINITION_OF_THE_PLOTTYPE

ESP_FITTED_CHARGES

BASISSET_DIFFERENCE_MAPS

MISCELLANEOUS_COMMANDS

MAPPING THE ELECTROSTATIC POTENTIAL ONTO AN ISODENSITY SURFACE

GENERATION OF INTERACTIVE SPECTRA FOR USE IN THE WORLD WIDE WEB

CALCULATION OF POLAR SURFACE AREA BY CALCULATING THE AB INITIO OR DISTRIBUTED MULTIPOLE DERIVED ELECTROSTATIC POTENTIAL MAPPED ONTO AN ISODENSITY SURFACE AND SUMMING THE SURFACE WITH POTENTIALS DEFINED AS POLAR AND APOLAR

CONVERSION OF INPUTFILES TO VARIOUS OUTPUT FORMATS

Alphabetical list of keywords:

NPTSX, NPTSY, NPTSZ

The keywords are also described in the Postscript Manual.