Exporting data
The
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 a .gz
or .zst
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., they are dynamically recomputed by the pipeline system for every animation frame. Plotting the values of one or more global attributes as functions of time can be done in OVITO Pro using the Time series modifier.
You can also export global attribute values 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.
See also
Supported output file formats
File format |
Description |
Exported data |
---|---|---|
LAMMPS dump |
Text-based file format produced and read by the LAMMPS molecular dynamics code. |
|
LAMMPS data |
File format read by the LAMMPS molecular dynamics code. |
|
XYZ |
A simple column-based text format, which is documented here. |
|
POSCAR |
File format used by the ab initio simulation package VASP. |
|
IMD |
File format used by the molecular dynamics code IMD. |
|
FHI-aims |
File format used by the ab initio simulation package FHI-aims. |
|
NetCDF |
Binary format for molecular dynamics data following the AMBER format convention. |
|
GSD/HOOMD |
Binary format for molecular dynamics data used by the HOOMD-blue code. See GSD (General Simulation Data) format. |
|
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. |