https://github.com/msaf9/design-and-optimization-of-molecules-using-software

Engineering Materials - Avogadro software simulations.
https://github.com/msaf9/design-and-optimization-of-molecules-using-software

avogadro

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Engineering Materials - Avogadro software simulations.

• Host: GitHub
• URL: https://github.com/msaf9/design-and-optimization-of-molecules-using-software
• Owner: msaf9
• Created: 2020-07-05T16:18:56.000Z (over 4 years ago)
• Default Branch: master
• Last Pushed: 2024-03-03T19:50:20.000Z (10 months ago)
• Last Synced: 2024-11-08T08:49:30.388Z (2 months ago)
• Topics: avogadro
• Homepage:
• Size: 407 KB
• Stars: 1
• Watchers: 3
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
 Design and optimization of molecules using Avogadro 


Project Name: Design and optimize molecules using the software, Avogadro, and finding bond lengths, bond angles and molecular energies based on MM force field.

Table of contents


- [Introduction](#introduction)

- [Course information](#course-information)

- [Resources](#resources)

- [Molecular Editor](#molecular-editor)

- [Project status](#project-status)

- [Installation](#installation)

  - [Get repository](#get-repository)

- [License](#license)

## Introduction

By using Avogadro software, we are building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages.

## Course information

- Course Name: Engineering Materials

- Course Code: 15PH1001

- Course Credits: 4

- Academic Year: 2015 - 16

## Resources

[Reference Research Paper](https://jcheminf.biomedcentral.com/articles/10.1186/1758-2946-4-17 'Avogadro: an advanced semantic chemical editor, visualization, and analysis platform')

## Molecular Editor

- Avogadro software

## Project status

> **Completed**

## Installation

### Get repository

```git

git https://github.com/msaf9/design-and-optimization-of-molecules-using-software.git

cd design-and-optimization-of-molecules-using-software

```

## License