Winmostar V10 is released

Feature List

Edition Eligibility
FREE Edition Anyone can use this edition for free. Some features are restricted (see below).
Please register here.
STUDENT Edition This edition is free for students enrolled in educational institutions.
Faculty and postdoctoral researchers MUST purchase the PROFESSIONAL edition.
Some features are restricted (see below).
Please register here.
PROFESSIONAL Edition This edition can be used by paying a license fee.
PROFESSIONAL Edition Economy features are more limited than PROFESSIONAL Edition Premium.
PROFESSIONAL Edition (Trial) You can use all the functions of PROFESSIONAL Edition Economy free for three months.
Please register here.

The features of the STUDENT Edition are the same as those of the PROFESSIONAL Edition Economy.

Category Function FREE Edition PROFESSIONAL Edition
Economy
PROFESSIONAL Edition
Premium
Semi-empirical quantum chemical calculations MOPAC interface (MOPAC6, 7 binary included)
input file creation, execution
output file reading
structure optimization display molecular orbitals, electron density, IR spectrum
MEP + IRC calculation (transition state search)
CNDO / S interface (CNDO / S binary included)
input file creation, execution
output file reading
UV-Vis spectra
Quantum chemical calculations GAMESS / Firefly interface
input file creation, execution
output file reading
structure optimization animation
molecular orbital, electron density, electrostatic potential
charge, dipole moment
IR, Raman, UV-Vis, NMR spectrum
NWChem interface (basic function)
input file creation, execution
output file reading
structure optimization animation
molecular orbital, electron density, electrostatic potential
charge, dipole moment display
IR, Raman, UV-Vis, NMR spectrum
NWChem interface (basic function other than)
Nudged Elastic Band (NEB) calculated (transition state search)
Gaussian interface
input file creation, execution
output file reading
structure optimization animation
molecular orbital, electron density, electrostatic potential
charge, dipole moment
IR, Raman, UV-Vis, NMR spectrum
MEP + IRC calculation (transition state search)
SMASH interface
input file created
Paired Interacting Orbital analysis function
Symmetry of the molecular structure
GAMESS input file creation
with asymmetric elements and point cloud information
Cube file reading
Molecular dynamics calculations Gromacs interface (basic function)
simple setting (preset)
input file creation, read and executed
output file reading
trajectories, various thermodynamic quantity time change
radial distribution function, the mean square displacement
RMSD, rotation radius
Gromacs interface (other than the basic functions)
output file reading
vibrational spectra, scattering function, dielectric constant, density distribution, free volume
Hildebrand solubility parameter, chi/DPD parameter,
Ramachandoran plot
automatic scaling of temperature and density
LAMMPS interface (basic function)
simple setting (preset)
input file creation, reading file output
trajectories in the execution
output file reading
Gromacs format, time variation of the various thermodynamic quantity
radial distribution function, mean square displacement
LAMMPS interface (other than the basic functions)
output file reading
scattering function, dielectric constant, density distribution, free volume nonequilibrium calculation (decompression, compression, descending-heating, shear)
thermal conductivity, automatic scaling
of viscosity calculation
temperature and density
Amber interface
input data creation, execution
output file read reading
trajectories, various thermodynamic quantity time change
Modylas interface
simple setting (preset)
input file creation, execution
output file read reading
trajectories, various thermodynamic quantity time change
Construction of amorphous (liquid) structure (Construction of additional / cell of solvent)
AM1-BCC · Gasteiger charge allocation
RESP charge allocation
Polymer builder (Homo random block polymer)
(Corresponding to the joining of the different lattice constants crystal) interface builder
Free energy calculations (energy display method, BAR method)
Averaging
various thermodynamic quantity
Time change histogram calculated
of distance and angle between the selected atom
Dissipative particle dynamics (DPD) method
Solid state physics calculation Quantum ESPRESSO interface (basic function)
simple setting (preset)
input file creation, execution
substructure fixed structure optimization calculation
Band, DOS calculations continuously performed
output file read
structure optimization animation
electron density point charge, potential energy distribution, the work function
band structure, DOS, PDOS, the Fermi surface
IR, Raman spectrum, phonon band phonon DOS
dielectric function
Born-Oppenheimer MD results
Quantum ESPRESSO interface (other than the basic functions)
Effective Screening Medium (ESM) method execution result display
Car-Parrinello MD executed, result display
Nudged Elastic Band (NEB) method execution result display
OpenMX interface
simple setting (preset)
input file creation, execution
output file reading
structure optimization animation
electron density point charge
band structure, DOS, PDOS, Fermi surface
FDMNES interface
input file creation, execution
output file reading
XANES spectrum
BoltzTraP analysis function
Seebeck coefficient, electrical conductivity, electron thermal conductivity
power factor, dimensionless performance index
Phonopy analysis function
Creating a crystal structure
Creating a super cell
Creating a slab model (automatic-manual mode)
Manual mode only
The creation of nano-cluster
Conversion
between conventional ⇔ primitive cell
Automatic setting
of the k-point path of the band diagram
Job management function Automatic scheduling
of local job
MOPAC only
Remote job
Modeling capabilities Substitution of functional groups, the rotation of the substructure, generation
aromatic ring
Automatic addition of a hydrogen atom, automatic generation bond
Conversion
between the coordinates of the XYZ⇔Z-Matrix
Creating a molecular cluster · N monomer (partial copy, paste)
Simple structure optimization using a molecular force field (clean)
Conformational search
using the Balloon
Input
of molecular structure by SMILES
Changes in density relocation
molecules considering periodic boundary
Presentation function Three views display
3D printer output (OpenSCAD)
Creating a GIF animation, ray tracing (POV-Ray)
Display
for patent application materials
Molecular shape analysis function Molecular surface area, volume, Tamagokatachido, aspect ratio, the calculation of the radius of gyration
Calculation of Sterimol parameters
Point group analysis (visualization of the detection and symmetry operations of the point group)
Supported file format
PDB, MOL, SDF, XYZ, CAR, MOLDA, Biograph, P2N format
Read & save Read & save Read & save
CIF, MOL2 format
Read only
Read & save Read & save

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