hope college > natural sciences > csm 

CSM
Computational Chemistry Software
Aces2  Coupled Cluster and Many Body Perturbation Theory methods AMBER  Assisted Model Building and Energy Refinement is a suite of tools for building, running, and analyzing a variety of molecular dynamicsbased calculations. CHARMM  Chemistry at HARvard Macromolecular Mechanics is a suite of tools for building, running, and analyzing a variety of molecular dynamicsbased calculations. Gamess  General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package. Gaussian 03 Starting from the basic laws of quantum mechanics, if predicts the energies, molecular structures, and vibrational frequencies of molecular systems Gaussian 98 Previous release Matlab  A powerful computing environment for numeric computation, algorithm development, data visualization, and data analysis. Molpro  Quantum chemistry package, with emphasis is on highly accurate computations, with extensive treatment of the electron correlation problem through the multiconfigurationreference CI, coupled cluster and associated methods. Mopac  A generalpurpose semiempirical molecular orbital package for the study of chemical structures and reactions. Qchem  Modern ab initio electronic structure program, is capable of performing first principles calculations on both the ground and excited states of molecules. WebMO  A World Wide Webbased interface to many of the computational chemistry packages listed above. MODELLER is a computer program that models threedimensional structures of proteins and their assemblies by satisfaction of spatial restraints. ORCA is a flexible, reasonably efficient and easytouse general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of openshell molecules. 
