Calculate the formation energy of chemical species either using an internal database or estimate it by decomposing them using the component contribution (https://gitlab.com/elad.noor/component-contribution) method. Thereafter this tool predicts the Gibbs free energy of reactions and of the whole heterologous pathway by combining the formation energy of each individual compound. Source code may be found at the following location: https://github.com/brsynth/rptools/tree/master/rptools/rpthermo |
hg clone https://toolshed.g2.bx.psu.edu/repos/tduigou/rpthermo
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
Calculate the formation energy of chemical species and the Gibbs free energy of their reactions and pathways in an SBML | 5.12.1 | 19.09 |