MolVizr3D 1.0.0

MolVizr3D: Molecular Visualizer in 3D.

MolVizr3D: Molecular Visualizer in 3D

MolVizr3D is a Python package designed to provide an intuitive and powerful solution for visualizing molecular structures in three dimensions. This package supports various molecule formats such as SDF, MOL, and more, allowing users to easily load and render complex molecular structures with high-quality 3D graphics.

Key Features:

• Wide Format Support: Load and visualize molecular structures from various file formats including SDF, MOL, and others.

• High-Quality 3D Rendering: Generate detailed and accurate 3D visualizations of molecular structures.

• Interactive Visualization: Rotate, zoom, and explore molecules interactively to better understand their geometry and properties.

• Customization: Customize visual aspects such as colors, styles, and labels to suit your specific needs.

• Integration: Seamlessly integrates with other computational chemistry tools and workflows.

The current version parse only sdf files!

Installation

Install MolVizr3D with pip

  pip install MolVizr3D

Examples

Import package as:

import molvizr3d as mv3d

To check mv3d version:

# check mv3d version

print(mv3d.__version__)



# this version parse only sdf files

To visualize the structure of compound using its sdf file:

# sdf file

sdf_file_name_1 = 'test\Conformer3D_COMPOUND_CID_7979.sdf'

sdf_file = os.path.join(os.getcwd(), sdf_file_name_1)



# visualize compound by sdf file

mv3d.td(sdf_file)

To visualize the structure of compound using its InChI

# InChI

inchi = 'InChI=1S/C3H8/c1-3-2/h3-4H,1H2,2H3'



# visualize compound by inchi

mv3d.td_by_inchi()

FAQ

For any question, contact me on LinkedIn

Authors

• @sinagilassi