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
Serena Software
6566 Lampkins Ridge Road
Bloomington, IN 47401
USA
812-333-0823
812-332-0877 (fax)
gilbert@indiana.edu
For applications in related solution areas, see the following indices: Computational Chemistry, Computer-Aided Molecular Design, Molecular Modeling, the developer index for Serena Software and the market segment index for Chemistry, Biochem, Biotech, Materials.
