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, with support Linux, Windows 10 and Mac OsX.

New Features include:

Redesigned user interface
Orbital and animated Vibration display
Automated conformational search output to Gaussian Input
Batch process Gaussian output and Boltzmann weighted plots of IR, NMR and VCD spectra
Direct support for Gaussian 16
CIF files and tools for building repeated crystallographic units.
Plots of IR, NMR, VCD and UV from G16 calculations.

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 and polymers
CIF files and builder for supercells (including fractional occupancies)
Geometry optimization using molecule mechanics force fields - MMFF94,MM3, MMX.
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
Interfaces to many quantum chemistry programs including Gaussian 16, 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 10, Macintosh OsX and Linux

News

Pcm10_rc75 is now available. I fixed bugs in building Azides and Isonitriles, added Display options for IR, UV, NMR and VCD spectra from Gaussian calculations and speeded up MO processing.

I will be in Philadelphia for the 2020 ACS meeting. Contact me at the Gaussian/Semichem Booth.

Pcmodel is no longer for sale! I turned 70 this year and felt that I could no longer offer four years of support. So I have decided not to continue selling Pcmodel. I am continuing to develop the code and add new features so I will make alternative arrangements to distribute the program. If you are interested please send me and email: gilbert@serenasoft.com

Request an updated license file good until 2030.

Useful Links

Gaussian
Gamess
Semichem

BioTools

Contacting Serena Software