화학과

• ccl(computatorial chemistry list) software archives

• Advanced Chemistry Development

• AIMPAC

• AMBER — Molecular Dynamics Program

• Artificial Life software

• AutoDoc

• Automatic Format conversion of Molecular Structure Files by Corina

• Basis Set library for ab initio programs

• Backbone-dependent rotamer library

• bio Online

• BIOSYM Software manuals on line

• Chemistry FTP Servers

• Chemistry Gopher Servers

• Chemistry and Biochemistry USENET News Groups

• CHIME

• Computer Animation Adds new dimensions to chemistry fundamentals

• DALI: Comparison of protein structures in 3D

• dsViewerPro

• GAMESS ab initio program, and information on Mark Gordon’s Research Group

• GaussianXX benchmark results

• Graphics and animations in chemistry

• Guide to Available Mathematical Software (GAMS)

• Java — New Web browser which can even support Chemistry once installed.

• JCAMP-DX file reader (Dept. Chemistry UWI, Jamaica

• Linux Scientific Software

• MicroSimulations

• MidasPlus

• MMTK

• Modeller

• MSI – Molecular modeling, analysis and simulation for life and material sciences

• Molden

• Molekel

• MOLMOL

• Naccess v2.0 – Atomic solvent accessible areas

• NAMD

• NetLib — Library of Numerical Public Domain Software

• O protein crystallographic package

• ORTEP — Plot program

• PDBLib documentation, a C++ macromolecular class library

• PGPLOT — Graphics Subroutine Library

• Pedro’s Biomolecular Research Tool, Database relating Proteins Structures and Sequences PROCHECK program

• RASMOL

• Raster3D

• gOpenMol

• Schrodinger, Inc.’s — electronic structure software

• SCULPT — minimization of potential energy in real time

• Simulated Annealing or Adaptive Simulated Annealing, by Lester lngber

• Synergy Software — Terminal Emulators

• Tripos, Inc. — software products and services for compound research in pharmaceutical, biotechnological, and related organizations worldwide

• Turbo Frodo

• Wavefunction

• WHATIF – sequence analysis package