Metadata-Version: 2.1
Name: MolVizr3D
Version: 1.0.0
Summary: MolVizr3D: Molecular Visualizer in 3D.
Author: Sina Gilassi
Author-email: <sina.gilassi@gmail.com>
License: MIT
Keywords: python,chemistry,chemistry-visualization,MolVizr3D
Classifier: Development Status :: 1 - Planning
Classifier: Intended Audience :: Education
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: Microsoft :: Windows
Requires-Python: >=3.6
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: pandas
Requires-Dist: pillow
Requires-Dist: requests
Requires-Dist: urllib3
Requires-Dist: matplotlib
Requires-Dist: PubChemQuery
Requires-Dist: numpy


# MolVizr3D: Molecular Visualizer in 3D



![Downloads](https://img.shields.io/pypi/dm/MolVizr3D) ![PyPI](https://img.shields.io/pypi/v/MolVizr3D) ![Python Version](https://img.shields.io/pypi/pyversions/MolVizr3D.svg) ![License](https://img.shields.io/pypi/l/MolVizr3D)



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



```python

  pip install MolVizr3D

```



## Examples



Import package as:



```python

import molvizr3d as mv3d

```



To check mv3d version:



```python

# check mv3d version

print(mv3d.__version__)



# this version parse only sdf files

```



To visualize the structure of compound using its `sdf` file:



```python

# 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



```python

# 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](https://www.linkedin.com/in/sina-gilassi/) 



## Authors



- [@sinagilassi](https://www.github.com/sinagilassi)



