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
Upcoming Meetings
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) Booth 1533.
Useful Links
Last updated: 3/11/14
gilbert@serenasoft.com "Kevin E. Gilbert"
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