Modeling from experimental data and modification of predicted protein structures require simple, open-source, general-purpose tools for modelling a protein structure from inter-atomic distances. OpenMDlr is a Python tool for modelling protein structures using pairwise distances between any atoms, as well as dihedral angles if desired. In an easy-to-install programme that can efficiently utilise several computing cores, the authors have presented a user-friendly input format for harnessing contemporary biomolecular force fields.
The OpenMDlr-amber project can be found at the following URL: https://github.com/BSDExabio/OpenMDlr-amber.
Reference:
Davidson R.B. et. al.(2022) OpenMDlr: parallel, open-source tools for general protein structure modeling and refinement from pairwise distances. Bioinformatics 38(12):3297–3298