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Visualization tools for computational chemistry

Project description

EVINCE

Molecular visualization prototype

Install from PyPI

pip install evince

Quick example usage for Notebooks

import numpy as np


# instantiate a molecule visualization
m = ev.models.molecule() 

charges = [1,1,8]
positions = np.random.uniform(-1,1,(3,3))

atoms = np.zeros((3,4))
atoms[:,0] = charges
atoms[:,1:] = positions

# add atoms to molecules
m.add_atoms(atoms)


# show visualization
m.render()```

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