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.
- --aneb
-
Read ANEB data.
- --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.