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Displays the bond-line structure of a compound or molecule. Gets images from PubChem.
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bunshi Bug fix in function cleanIUPAC Apr 23, 2019
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README.md Added comments Apr 23, 2019
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README.md

Bunshi

https://bunshi.herokuapp.com/

Displays the bond-line structure of a compound or molecule. Gets images from PubChem.

Made using Python, Flask & BeautifulSoup

Run locally

Method 1:

Clone

$ git clone "https://github.com/hvrc/Bunshi.git"
$ cd Bunshi

Run the shell script on a Mac...

$ bash run.sh

...or run the batch file on Windows...

$ start run.bat

...and refresh the page

Method 2:

Clone

$ git clone "https://github.com/hvrc/Bunshi.git"
$ cd Bunshi

Create a virtualenv & activate it

$ python3 -m venv venv
$ . venv/bin/activate

On Windows:

$ py -3 -m venv venv
$ . venv/Scripts/activate

On Windows cmd:

> py -3 -m venv venv
> venv\Scripts\activate.bat

Install requirements

$ pip install -r requirements.txt

Run

$ export FLASK_APP=bunshi
$ export FLASK_ENV=development
$ flask run

On Windows cmd:

> set FLASK_APP=bunshi
> set FLASK_ENV=development
> flask run

Open localhost:5000 in a browser

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