ZnDraw
Install via pip install zndraw. If you have pip install pywebview installed,
ZnDraw will open in a dedicated window.
CLI
You can use ZnDraw to view a file using the CLI zndraw traj.xyz. Supported
file formats include everything that ase.io can read and additionally h5
files in the H5MD standard.
If you want to view the frames while they are added to the scene you can use
zndraw -mp traj.xyz. See zndraw --help for more CLI options.
Python
ZnDraw provides a Python interface. The zndraw.ZnDraw object offers append,
extend as well as assignment operations. More information is available in the
example notebook.
from zndraw import ZnDraw
import ase
vis = ZnDraw()
vis.socket.sleep(2) # give it some time to fully connect
vis[0] = ase.Atoms(
"H2O", positions=[[0.75, -0.75, 0], [0.75, 0.75, 0], [0, 0, 0]]
)ZnDraw also provides an interface to the Python logging library, including support for formatters and different logging levels.
import logging
log = logging.getLogger(__name__)
log.addHandler(vis.get_logging_handler())
log.critical("Critical Message")User Interface
Development
ZnDraw is developed using https://python-poetry.org/. Furthermore, the javascript packages have to be installed using https://www.npmjs.com/.
cd zndraw/static/
npm install