Computational Chemistry Software
PCMODEL: Version 10.0. Full scale molecular modeling featuring easy input of 3-D structures, a large palette of atom types including cations, anions and radicals, and many predefined small rings, amino acids and sugars. Site licenses and multi copy discounts available.
● OpenGL graphics engine
● Force Fields: MMX, MM3, MMFF94, OplsAA, United Atom
● Interface to Gaussian, Gamess,Turbomol, Ampac, Mopac
● Conformational Searching and automated conversion to Quantum Chemistry input files.
● File Types: PCM, MM3, Mol2, PDB, SDF, Gaussian, Gamess, Mopac/Ampac, Turbomole, MDL,CIF and Smiles.
● Graphics Files: PovRay, Jpeg, PNG, PDF
● Movies: Gaussian IRC, Molecular Dynamics in Avi format.
● Builders: Peptides, Carbohydrates, Nucleic Acids, Crystals.
● Analyze: Surface Area, Volumes, Chirality, Point Group and Nmr coupling constants.
● Batch, and
Prices: list - $ 3000 for three year license ; academic - $ 400 for three year license. Unlimited academic site license(three years): $ 3500
GMMX: Stochasitic conformational searching in Cartesian and dihedral space. This is a batch version of the routines in Pcmodel and is designed for large scale conformational searching with a minimum of overhead. Gmmx supports all the force fields supported by Pcmodel.
Prices: $ 3000 list , $ 400 academic. Unlimited academic site license: $ 3500
Available For: Windows 7
Macintosh OS X (10.5 - 10.9)
Linux (OpenSuse 12 &13)
Serena Software Kevin E. Gilbert
Box 3076 M. Mark Midland
Bloomington, IN 47402-3076
Web Site: http://www.serenasoft.com