A simple command line app to interconvert dissociation constants and free energies of binding.
Project description
k2dg
A command line tool to convert from dissociation constants to free energies and vice versa.
Installation
pip install k2dg
Usage
To see the available options, run:
k2dg --help
For example, to convert a dissociation constant of 0.3 uM to a free energy in kcal/mol at 298.15 K:
k2dg 2dg 0.3 uM
Or, to convert a free energy of -9.4 kcal/mol to a dissociation constant at 310 K:
k2dg 2kd -9.4 kcal/mol -t 310
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