Supported input file formats

OVITO provides file readers for a variety of input formats, in particular data formats written by molecular dynamics and other atomistic simulation codes. In addition, it can load and visualize other kinds of data, for example triangle meshes and voxel data (grid fields).

File formatDescriptionImportable data types
LAMMPS dump

File format used by the LAMMPS molecular dynamics code. OVITO supports both text-based and binary dump files.

particles
LAMMPS data

File format used by the LAMMPS molecular dynamics code.

particles, bonds, angles, dihedrals, impropers
XYZ

Simple column-based text format for particle data, which is documented here.

OVITO can read the extended XYZ format, which supports arbitrary sets of particle data columns, and can store addtional information such as the simulation cell geometry and boundary conditions.

particles
POSCAR / XDATCAR / CHGCAR

File formats used by the ab initio simulation package VASP. OVITO can import atomistic configurations and also charge density fields from CHGCAR files.

particles, voxel grids
IMD

File format used by the molecular dynamics code IMD.

particles
CFG

File format used by the AtomEye visualization program.

particles
DL_POLY

File format used by the molecular simulation package DL_POLY.

particles
PARCAS

Binary file format written by the MD code Parcas developed in K. Nordlund's group at University of Helsinki.

particles
NetCDF

Binary format for molecular dynamics data following the AMBER format convention. NetCDF files are produced by the LAMMPS dump netcdf command.

particles
PDB

Protein Data Bank (PDB) files (experimental support).

particles, bonds
FHI-aims

Geometry and log-file formats used by the ab initio simulation package FHI-aims.

particles
GSD/HOOMD

Binary format for molecular dynamics data used by the HOOMD-blue code. See GSD (General Simulation Data) format.

particles
CASTEP

File format used by the CASTEP ab initio code. OVITO can read the .cell, .md and .geom formats.

particles
XSF

File format used by the XCrySDen program.

particles, voxel grids
Cube

File format used by the Gaussian simulation package. Specifications of the format can be found here and here.

particles, voxel grids
GALAMOST

XML-based file format used by the GALAMOST molecular dynamics code.

particles, bonds
Quantum Espresso

Input data format used by the Quantum Espresso electronic-structure calculation code.

particles
CIF

Crystallographic Information File format as specified by the International Union of Crystallography (IUCr). Parser supports only small-molecule crystal structures.

particles
VTK

Format used by the Visualization Toolkit (VTK). This text-based format is documented here. Note that OVITO supports only triangular cells.

triangle meshes
OBJ

Common text-based format for storing triangle mesh geometry (see here).

triangle meshes
STL

Another popular format for storing triangle mesh geometry (see here). Note that OVITO supports only STL files in ASCII format.

triangle meshes
ParaDiS

File format of the ParaDiS discrete dislocation dynamics code.

dislocation lines
oxDNA

Configuration/topology file format used by the oxDNA simulation code for coarse-grained DNA models.

particles, bonds

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