https://pypi.org/project/edmd-package/ Recent updates to the Python Package Index for EDMD-package en https://pypi.org/project/edmd-package/2.0.6/ This module can be used to analyse the Phi and Psi dihedral (or torsion) angle distribution in a protein structural ensemble (e.g., from Chemical-Shift-Rosetta), define potential energy functions (PEFs), and replace the original dihedral energy terms in GROMACS for molecular dynamics (MD) simulations. marton.gadanecz@gmail.com, zsolt.fazekas.9@gmail.com Thu, 18 Sep 2025 12:25:18 GMT https://pypi.org/project/edmd-package/2.0.5/ This module can be used to analyse the Phi and Psi dihedral (or torsion) angle distribution in a protein structural ensemble (e.g., from Chemical-Shift-Rosetta), define potential energy functions (PEFs), and replace the original dihedral energy terms in GROMACS for molecular dynamics (MD) simulations. marton.gadanecz@gmail.com, zsolt.fazekas.9@gmail.com Fri, 12 Sep 2025 08:31:28 GMT