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 four year license ; academic - $ 400 for four year license. Unlimited academic site license(four 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 and 8.1)
Macintosh OS X (10.5 - 10.9)
Linux (OpenSuse 12 &13)