chemlab.notebook

This package contains commands useful in the IPython notebook

chemlab.notebook.download_molecule(name)

Fetch a molecule from the web by its common name

chemlab.notebook.load_molecule(name, format=None)

Read a ~chemlab.core.Molecule from a file.

See also

chemlab.io.datafile

chemlab.notebook.load_remote_molecule(url, format=None)

Load a molecule from the remote location specified by url.

Example

load_remote_molecule('https://raw.github.com/chemlab/chemlab-testdata/master/benzene.mol')

chemlab.notebook.load_remote_system(url, format=None)

Load a system from the remote location specified by url.

Example

load_remote_system('https://raw.github.com/chemlab/chemlab-testdata/master/naclwater.gro')

chemlab.notebook.load_remote_trajectory(url, format=None, skip=1)

Load a trajectory file from a remote location specified by url.

See also

load_remote_system

chemlab.notebook.load_system(name, format=None)

Read a ~chemlab.core.System from a file.

See also

chemlab.io.datafile

chemlab.notebook.load_trajectory(name, format=None, skip=1)

Read a trajectory from a file.

See also

chemlab.io.datafile