NAME¶

ase-gui - graphical user interface for ASE

SYNOPSIS¶

ase-gui [options] [file[, file2, ...]]

DESCRIPTION¶

See the online manual (https://wiki.fysik.dtu.dk/ase/ase/gui/gui.html) for more information.

OPTIONS¶

--version

show program's version number and exit

-h, --help

show this help message and exit

-n NUMBER, --image-number=NUMBER

Pick image(s) from trajectory. NUMBER can be a single number (use a negative number to count from the back) or a range: start:stop:step, where the ":step" part can be left out - default values are 0:nimages:1.

-u I, --show-unit-cell=I

0: Don't show unit cell. 1: Show unit cell. 2: Show all of unit cell.

-r REPEAT, --repeat=REPEAT

Repeat unit cell. Use "-r 2" or "-r 2,3,1".

-R ROTATIONS, --rotations=ROTATIONS

Examples: "-R -90x", "-R 90z,-30x".

-o FILE, --output=FILE

Write configurations to FILE.

-g EXPR, --graph=EXPR

Plot x,y1,y2,... graph from configurations or write data to sdtout in terminal mode. Use the symbols: i, s, d, fmax, e, ekin, A, R, E and F. See https://wiki.fysik.dtu.dk/ase/ase/gui/gui.html #plotting-data for more details.

-t, --terminal

Run in terminal window - no GUI.

--interpolate=N

Interpolate N images between 2 given images.

-b, --bonds

Draw bonds between atoms.

-s FLOAT, --scale=FLOAT

Scale covalent radii.

-v, --verbose

Verbose mode.