Display and manage projects, as well as structure information files. In the display area, only items compatible with this software are shown. Atomic structures are represented as 3D icons, which can be rotated by dragging. (A project is essentially a folder (directory), but it appears in the interface similarly to a structure information file.)

Open a structure information file to access the project view. In this view, various analises can be performed.


Location bar

Displays the path (location in the computer) of the currently displayed directory. Type a path and press Enter key to navigate to that location. On Windows, use this function if you’d like to access a location other than the C drive.

Click folder icon to open the displayed folder in external file manager.

Change view

Select the size of the icons in the display area. Choose List to view detailed information for each item.

Supported structure information file types


Crystallographic Information Framework


XYZ chemical file format

.xsf, .axsf

XCrySDen file format


VASP input file

the line of element names must be included.

.in, .qe, .qein, .pw, .pwin, .pwi, input

Quantum ESPRESSO input file


Advance/PHASE input file

.cube, .cub

Gaussian cube file

.lmp, .lammps

LAMMPS data file

read structure from data file specified by read_data.

.lammpstrj, .dump

LAMMPS dump file

element column must be output.

.mol, .sdf

MDL Molfile


Advance/NeuralMD Metropolis method configuration file

You can open files by any of the following methods:

  • in explorer, navigate to the folder containing the file and double-click the file

  • drag & drop the file onto the NanoLabo window

  • drag & drop the file onto the NanoLabo launch icon

  • pass the file as an argument to the NanoLabo executable

Items manipulation

You can perform various actions (copying, renaming etc.) on projects or structure configuration files in the display area by using the right-click menu.

Shortcut keys list




Select all

Ctrl + A

Deselect all



Ctrl + D




Ctrl + X


Ctrl + C


Ctrl + V

Incremental search

search string

* For macOS, replace Ctrlcommand , Altoption .