Pcmodel version 10.0
Serena Software announces the release of version 10.0 of Pcmodel. Completely redesigned with a new user interface, built with cross platform tools, we can once again support Linux, Windows 7 and Mac OsX.
New Features include:
Redesigned user interface
Orbital and animated Vibration display
Automate conformational search output to Gaussian Input
Batch process Gaussian output and Boltzmann weighted plots of IR, NMR and VCD spectra
Direct support for Gaussian 09
Direct support for Mopac2012
CIF files and tools for building repeated crystallographic units.
Among the many reasons for using Pcmodel are:
· OpenGL graphics engine for high quality graphics (staring with version 9.0)
· Easy, intuitive builder for Organic, Bio, and Organometallic molecules
· Builders for Peptides, Sugars, Nucleic Acids
· CIF files and builder for supercells (including fractional occupancies)
· Geometry optimization using molecule mechanics force fields - MMX, MM3, MMFF94, Oplsaa or United Atom
· Central force field model for Organometallic molecules
· Conformational searching using any of the included force fields
· Display of Molecular Orbitals and Densities
· Compute and/or display Normal Vibrational Modes
· Query distance, angles, dihedrals, chirality and nmr coupling constants
· Run Mopac2012 or Gaussian09 from Pcmodel
· Interfaces to many quantum chemistry programs including Gaussian, Gamess, Turbomole, Mopac2012
· Read and Write many types of chemical information files including: PDB, SDF, MM3, Mol2, XYZ
· Limited support for MD using LAMMPS
· Make and Play Movies (avi format)
· Support for Windows, Macintosh OsX and Linux
· Low cost, no license managers and site licenses
Stop by and visit and let us know what you want to see in the next version of Pcmodel which is under active development. We will be in Dallas for the upcoming (March 2014) ACS meeting working with Gaussian. We will not have our own booth but we will be there and available for discussions (setup a time via email).
Last updated: 2/9/13
email@example.com "Kevin E. Gilbert"
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