Uses a set of rules (/dat/pyMutateData.json) to transform side chains
New CB atoms are built from backbone
New atoms are built using AMBER03 Prep Lib (/dat/all_amino03.in), with a modified PRO residue
usage: pyMutate [-h] [--debug] [--useModels USEMODELS] [-i PDB_PATH] [-m MUTATIONLIST] [--map MUTATIONMAP] [--rlib RESIDUELIB] [-o OUTPUT_PDB_PATH]
-h, --help show this help message and exit --debug, -d Produce DEBUG output --useModels USEMODELS Use all Models [no, auto, force] -i PDB_PATH PDB File | pdb:pdbId -m MUTATIONLIST List of mutations ([chain:]OldIdNumNewId as in A:Arg232Gln, no chain or * for all chains ) | file:file_path -o OUTPUT_PDB_PATH Output PDB File --map MUTATIONMAP Mutation rules (default: dat/pyMutateData.json) --rlib RESIDUELIB Residue Lib (amber prep format) (default dat/allamino03.in)
python 3.x
numpy
BioPython (Bio.PDB)