MOLEKEL(c) is powerful 3-dimensional molecular graphics package for the interactive visual representation of molecular structures and properties. It is mainly designed for generating detailed, easily interpretable and aesthetically appealing graphical output based on structural data and the results of physico-chemical calculations. MOLEKEL contains data interfaces to various external electronic structure calculation packages and molecular dynamics packages, where chemical systems ranging from small organic compounds to large macro-molecules may be investigated. MOLEKEL is mainly used by research groups for routine work as well as for generating complex graphical representations for publications using transparency, textures, shadow-casting, etc.
MOLEKEL is written in C using the SGI-GL, and runs on SGI workstations, from Indigo Entry up to Onyx/RE2. The currently available version is MOLEKEL 2.2.
Peter F. Flükiger
Doctor Swiss Scientific Computing Center Via Cantonale 6928 Manno, &lbreak;Switzerland 011-41-91-50-82-05 fax:011-41-91-50-67-11 flukiger@cscs.ch