Exporting data¶

The File ‣ Export File function of OVITO exports the results of the current data pipeline to a file. Depending on the selected output format (see table below), different fragments of the dataset are exported, e.g. the particles and their properties, the bonds, other computed quantities, etc. Furthermore, you can choose which animation frame(s) should be exported (just the current frame or a range), and whether the datasets are saved to a single output file or to a sequence of files, one per frame.

OVITO will ask you for a destination filename. Note that, if you append the .gz suffix, the output file(s) will automatically be compressed for text-based file formats.

Global attribute values¶

Some of OVITO’s analysis functions compute scalar output values, e.g. the total number of atoms of a particular type or the computed surface area of a solid. You can find a table of these global attributes associated with the current dataset on the Attributes page of the data inspector panel. Attributes may have time-dependent values (i.e. their value is dynamically recomputed by the pipeline system for every animation frame).

You can export the time series formed by one or more such global attributes to a text file using OVITO’s file export function described above. Make sure to select the “Table of Values” export format in the file selection dialog. This output format produces a tabular text file with the values of the selected attributes as functions of time. You can plot the exported data with any external charting tool.

Supported output file formats¶

File format

Description

Exported data

LAMMPS dump

Text-based file format produced and read by the LAMMPS molecular dynamics code.

particles

LAMMPS data

File format read by the LAMMPS molecular dynamics code.

particles, bonds, angles, dihedrals, impropers

XYZ

A simple column-based text format, which is documented here.

particles

POSCAR

File format used by the ab initio simulation package VASP.

particles

IMD

File format used by the molecular dynamics code IMD.

particles

FHI-aims

File format used by the ab initio simulation package FHI-aims.

particles

NetCDF

Binary format for molecular dynamics data following the AMBER format convention.

particles

GSD/HOOMD

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

particles, bonds, bonds, global attributes

VTK

Generic text-based data format used by the ParaView software.

POV-Ray scene

Exports the entire scene to a file that can be rendered with POV-Ray.

any

Crystal Analysis (.ca)

Format that can store dislocation lines extracted from an atomistic crystal model by the Dislocation Analysis modifier. The format is documented here.