Input formats

OVITO can read the following file formats:

Format nameDescriptionData type(s)
LAMMPS data

File format used by the LAMMPS molecular dynamics code.

particles, bonds, angles, dihedrals, impropers
LAMMPS dump

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

particles
LAMMPS dump local

File format written by the dump local command of LAMMPS. OVITO's Load trajectory modifier can read varying bond topology and per-bond quantities from such files generated in reactive molecular dynamics simulations.

bonds
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
Gromacs GRO

Coordinate file format used by the GROMACS simulation code.

particles
Gromacs XTC

Trajectory file format used by the GROMACS simulation code.

particles
CFG

File format used by the AtomEye visualization program.

particles
NetCDF

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

particles
CIF

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

particles
PDB

Protein Data Bank (PDB) files.

particles
PDBx/mmCIF

The PDBx/mmCIF format stores macromolecular structures and is used by the Worldwide Protein Data Bank.

particles
Quantum Espresso

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

particles
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
IMD

File format used by the molecular dynamics code IMD.

particles
DL_POLY

File format used by the molecular simulation package DL_POLY.

particles
GALAMOST

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

particles, bonds
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
PARCAS

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

particles
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