pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
Currently, pyMBE returns the labels of the reactions that have been set up but it does not store them in the pmb.df. For consistency, we should save the reactions also in the pmb.df. Request by @kosovan .
Currently, pyMBE returns the labels of the reactions that have been set up but it does not store them in the
pmb.df. For consistency, we should save the reactions also in thepmb.df. Request by @kosovan .