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title

Molecular Viewer for chemical structures developed with OpenGL and Pygame python version: 3.8.9

Requirements

numpy==1.20.2
openbabel==3.1.1
pygame==2.0.1
PyOpenGL==3.1.5

Installation

pip install -r requirements.txt

Usage

python pyvmolecule.py <file> <style>

file: file name (including file extension -> "melatonin.sdf")

style: molecular model (styles -> [wire, cpk])

Note: Style default Spheres and Lines

Example:

python pyvmolecule.py melatonin.sdf
python pyvmolecule.py melatonin.sdf wire
python pyvmolecule.py melatonin.sdf cpk

styles

PyVMolecule

Contact

jgonzalez76@uc.edu.ve

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Molecular Viewer for chemical structures developed with OpenGL and Pygame in Python 3.8.9

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