NAME¶

ase-gui - graphical user interface for ASE

DESCRIPTION¶

Please use "ase gui" instead of "ase-gui" usage: ase gui [-h] [-n NUMBER] [-u I] [-r REPEAT] [-R ROTATIONS] [-o FILE]

: [-g EXPR] [-t] [--interpolate N] [-b] [-s FLOAT] [filenames [filenames ...]]

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

-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.f ysik.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.

July 2017

ase-gui 3.14.1