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