PCMODEL

PCMODEL is a full-fledged molecular modeling program for designing and studying chemical structures from drugs to dyes. Chemists can input a structure (using the mouse) much as they would sketch the structure on a piece of paper. Among the many features included are a periodic table for choosing different atom types, rotation of the entire structure in 3-D, automatic addition and deletion of hydrogens and lone pairs, structure building in three dimensions, input and output to many types of computational chemistry files, and user-selectable options for pi systems, hydrogen bonding, and transition metal coordination. Data is included for oxygen, nitrogen, phosphorus, sulfur, silicon, radicals, cations, anions, and transition metals.

Kevin Gilbert

Owner