Creating infrastructure to rename atoms and residues between different software packages such as AmberMD, Rosetta, etc. Very necessary to reduce errors. All functionality is accessed through the translate_structure() api in enzy_htp/structure/structure_translator/api.py. Note that the code only works for canonical amino acids and does not work for ligands, NCAAs or other different types of chemical entities.
Creating infrastructure to rename atoms and residues between different software packages such as AmberMD, Rosetta, etc. Very necessary to reduce errors. All functionality is accessed through the
translate_structure()api inenzy_htp/structure/structure_translator/api.py. Note that the code only works for canonical amino acids and does not work for ligands, NCAAs or other different types of chemical entities.