MacMolPlt: A graphical user interface for GAMESS

Brett M. Bode, Mark S. Gordon

Research output: Contribution to journalArticle

Abstract

A description of MacMolPlt, a graphical user interface for the General Atomic and Molecular Electronic Structure System, GAMESS, is presented. Major features include an input builder for GAMESS; and display and animation of molecular structure, normal modes of vibration, reaction paths, orbitals, total electron densities, molecular electrostatic potentials, and density differences. The strategy for direct computation of orbital, total electron density, and molecular electrostatic potential surfaces is discussed.

Original languageEnglish (US)
Pages (from-to)133-138
Number of pages6
JournalJournal of Molecular Graphics and Modelling
Volume16
Issue number3
DOIs
StatePublished - Dec 1 1998
Externally publishedYes

ASJC Scopus subject areas

  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Computer Graphics and Computer-Aided Design
  • Materials Chemistry

Fingerprint Dive into the research topics of 'MacMolPlt: A graphical user interface for GAMESS'. Together they form a unique fingerprint.

  • Cite this