A simple calculator program that performs buffer calculations.
- Entry into an imported or new user generated chemical library that can be updated each time a new buffer is created
- Scale buffers to any volume required simply
- Export buffers to a CSV file for easy printing and logging
- Python 3.x
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Clone the repository:
git clone https://github.com/kodyklupt/WarrenBuffer
Run the script from the command line, providing the total volume and the chemicals to add. The script accepts concentrations in mM.
python buffercalculator.py --name test --volume <L> --dry <name> <concentration> --wet <name> <concentration>To create a 1.5 L buffer with 200 mM Sodium Chloride, 100 mM Tris, and 50 mM HCl, you would run:
python buffercalculator.py --volume 1.5 --dry "Sodium Chloride" 200 --dry "Tris" 100 --wet "HCl" 50The Chemical Libraries folder contains lists of wet and dry reagents that can be used by the buffer calculator. You can easily add your own chemicals to these lists.
dry.csv: This file contains a list of dry reagents and their corresponding molecular weights in g/mol.wet.csv: This file contains a list of wet reagents and their corresponding molarities in mol/L.
Gemini was prompted to generate a list of common chemical reagents and associated molecular weights. These are the loaded default files. Use caution when using these libraries.
Go to /Chemical_Libraries/.gitignore and uncomment the dry.csv or wet.csv so your libraries are not written over in future pulls from Git. Alternatively, you can use redirect the library in buffercalculator.py
dry_lib = pd.read_csv("Chemical_Libraries/dry.csv")
wet_lib = pd.read_csv("Chemical_Libraries/wet.csv")The Outputs folder contains the generated buffer recipes in CSV format. Each time you create a new buffer, a CSV file with the recipe will be saved in this folder.