LICENSE
MANIFEST.in
README.rst
setup.cfg
setup.py
versioneer.py
src/pmx/_version.py
src/pmx/data/bbdep.pkl
src/pmx/data/blosum62_new.mat
src/pmx/data/bp.pkl
src/pmx/data/bp_amber.pkl
src/pmx/data/bp_charmm.pkl
src/pmx/data/rna.pkl
src/pmx/data/mutff45/atommass.dat
src/pmx/data/mutff45/elements.dat
src/pmx/data/mutff45/spc216.gro
src/pmx/data/mutff45/specbond.dat
src/pmx/data/mutff45/xlateat.dat
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/aminoacids.c.tdb
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/aminoacids.hdb
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/aminoacids.n.tdb
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/aminoacids.r2b
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/aminoacids.vsd
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/backup_mutres
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/dna.arn
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/dna.hdb
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/dna.r2b
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/dna.rtp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/ffbonded.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/forcefield.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/gbsa.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/ions.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/mutres.mtp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/mutres.rtp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/rna.arn
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/rna.hdb
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/rna.r2b
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/rna.rtp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/spc.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/spce.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/tip3p.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/tip4p.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/tip4pew.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/tip5p.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/urea.itp
src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/watermodels.dat
src/pmx/data/mutff45/amber99sbmut.ff/Makefile.am
src/pmx/data/mutff45/amber99sbmut.ff/Makefile.in
src/pmx/data/mutff45/amber99sbmut.ff/aminoacids.c.tdb
src/pmx/data/mutff45/amber99sbmut.ff/aminoacids.hdb
src/pmx/data/mutff45/amber99sbmut.ff/aminoacids.n.tdb
src/pmx/data/mutff45/amber99sbmut.ff/aminoacids.vsd
src/pmx/data/mutff45/amber99sbmut.ff/dna.arn
src/pmx/data/mutff45/amber99sbmut.ff/dna.hdb
src/pmx/data/mutff45/amber99sbmut.ff/dna.r2b
src/pmx/data/mutff45/amber99sbmut.ff/dna.rtp
src/pmx/data/mutff45/amber99sbmut.ff/gbsa.itp
src/pmx/data/mutff45/amber99sbmut.ff/rna.arn
src/pmx/data/mutff45/amber99sbmut.ff/rna.hdb
src/pmx/data/mutff45/amber99sbmut.ff/rna.r2b
src/pmx/data/mutff45/amber99sbmut.ff/rna.rtp
src/pmx/data/mutff45/amber99sbmut.ff/spc.itp
src/pmx/data/mutff45/amber99sbmut.ff/spce.itp
src/pmx/data/mutff45/amber99sbmut.ff/tip3p.itp
src/pmx/data/mutff45/amber99sbmut.ff/tip4p.itp
src/pmx/data/mutff45/amber99sbmut.ff/tip4pew.itp
src/pmx/data/mutff45/amber99sbmut.ff/tip5p.itp
src/pmx/data/mutff45/amber99sbmut.ff/urea.itp
src/pmx/data/mutff45/amber99sbmut.ff/watermodels.dat
src/pmx/data/mutff45/charmm22starmut.ff/aminoacids.arn
src/pmx/data/mutff45/charmm22starmut.ff/aminoacids.c.tdb
src/pmx/data/mutff45/charmm22starmut.ff/aminoacids.n.tdb
src/pmx/data/mutff45/charmm22starmut.ff/aminoacids.r2b
src/pmx/data/mutff45/charmm22starmut.ff/aminoacids.vsd
src/pmx/data/mutff45/charmm22starmut.ff/dna.arn
src/pmx/data/mutff45/charmm22starmut.ff/dna.c.tdb
src/pmx/data/mutff45/charmm22starmut.ff/dna.hdb
src/pmx/data/mutff45/charmm22starmut.ff/dna.n.tdb
src/pmx/data/mutff45/charmm22starmut.ff/dna.rtp
src/pmx/data/mutff45/charmm22starmut.ff/ffbonded.itp
src/pmx/data/mutff45/charmm22starmut.ff/ffnanonbonded.itp
src/pmx/data/mutff45/charmm22starmut.ff/forcefield.itp
src/pmx/data/mutff45/charmm22starmut.ff/gb.itp
src/pmx/data/mutff45/charmm22starmut.ff/ions.itp
src/pmx/data/mutff45/charmm22starmut.ff/lipids.hdb
src/pmx/data/mutff45/charmm22starmut.ff/lipids.rtp
src/pmx/data/mutff45/charmm22starmut.ff/mutres.arn
src/pmx/data/mutff45/charmm22starmut.ff/rna.arn
src/pmx/data/mutff45/charmm22starmut.ff/rna.c.tdb
src/pmx/data/mutff45/charmm22starmut.ff/rna.hdb
src/pmx/data/mutff45/charmm22starmut.ff/rna.n.tdb
src/pmx/data/mutff45/charmm22starmut.ff/rna.r2b
src/pmx/data/mutff45/charmm22starmut.ff/rna.rtp
src/pmx/data/mutff45/charmm22starmut.ff/spc.itp
src/pmx/data/mutff45/charmm22starmut.ff/spce.itp
src/pmx/data/mutff45/charmm22starmut.ff/tip3p.itp
src/pmx/data/mutff45/charmm22starmut.ff/tip4p.itp
src/pmx/data/mutff45/charmm22starmut.ff/tip4pew.itp
src/pmx/data/mutff45/charmm22starmut.ff/tip5p.itp
src/pmx/data/mutff45/charmm22starmut.ff/watermodels.dat
src/pmx/data/mutff45/charmm36mut.ff/aminoacids.arn
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.arn
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.arn_backup
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.c.tdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.hdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.n.tdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.r2b
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.vsd
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/atomtypes.atp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/backup_ffbonded_for_ildn_test.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/backup_mutres
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/correct_ffbonded.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/dna.arn
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/dna.hdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/dna.r2b
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/dna.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/ffberger.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/ffbonded.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/ffnonbonded.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/forcefield.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/gbsa.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/ions.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/mutres.mtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/mutres.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/mutres_dna.mtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/mutres_dna.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/popc_AmbBer.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/popc_AmbBer_posre.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/rna.arn
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/rna.hdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/rna.r2b
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/rna.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/spc.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/spce.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/tip3p.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/tip4p.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/tip4pew.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/tip5p.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/urea.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-bsc1-mut.ff/watermodels.dat
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/aminoacids.arn
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/aminoacids.c.tdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/aminoacids.hdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/aminoacids.n.tdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/aminoacids.r2b
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/aminoacids.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/aminoacids.vsd
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/atomtypes.atp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/backup_ffbonded_for_ildn_test.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/correct_ffbonded.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/dna.arn
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/dna.hdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/dna.r2b
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/dna.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/ffberger.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/ffnonbonded.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/forcefield.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/gbsa.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/ions.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/mutres_dna.mtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/mutres_dna.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/popc_AmbBer.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/popc_AmbBer_posre.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/rna.arn
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/rna.hdb
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/rna.r2b
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/rna.rtp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/spc.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/spce.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/tip3p.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/tip4p.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/tip4pew.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/tip5p.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/urea.itp
src/pmx/data/mutff45dna/amber99sb-star-ildn-mut.ff/watermodels.dat
src/pmx/data/mutff45dna/charmm36m-mut.ff/cmap.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/forcefield.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/gb.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/ions.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/merged.arn
src/pmx/data/mutff45dna/charmm36m-mut.ff/merged.c.tdb
src/pmx/data/mutff45dna/charmm36m-mut.ff/merged.hdb
src/pmx/data/mutff45dna/charmm36m-mut.ff/merged.n.tdb
src/pmx/data/mutff45dna/charmm36m-mut.ff/merged.r2b
src/pmx/data/mutff45dna/charmm36m-mut.ff/merged.rtp
src/pmx/data/mutff45dna/charmm36m-mut.ff/merged.vsd
src/pmx/data/mutff45dna/charmm36m-mut.ff/mutres_dna.mtp
src/pmx/data/mutff45dna/charmm36m-mut.ff/mutres_dna.rtp
src/pmx/data/mutff45dna/charmm36m-mut.ff/nbfix.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/spc.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/spce.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/tip3p.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/tip4p.itp
src/pmx/data/mutff45dna/charmm36m-mut.ff/watermodels.dat
src/pmx/extensions/pmx/Energy.c
src/pmx/extensions/pmx/Geometry.c
src/pmx/extensions/pmx/Geometry.h
src/pmx/extensions/pmx/cpp_test.cpp
src/pmx/extensions/pmx/init.c
src/pmx/extensions/pmx/pmx.h
src/pmx/extensions/pmx/wrap_Geometry.c
src/pmx/extensions/xdr/trr2xtc.c
src/pmx/extensions/xdr/xdrfile.c
src/pmx/extensions/xdr/xdrfile.h
src/pmx/extensions/xdr/xdrfile_c_test.c
src/pmx/extensions/xdr/xdrfile_trr.c
src/pmx/extensions/xdr/xdrfile_trr.h
src/pmx/extensions/xdr/xdrfile_xtc.c
src/pmx/extensions/xdr/xdrfile_xtc.h
src/pmx/scripts/md_setup.py
src/pmx/scripts/ligands/atoms_to_morph.py
src/pmx/scripts/ligands/atoms_to_morph_rdkit2018.py
src/pmx/scripts/ligands/build_mst_graph.py
src/pmx/scripts/ligands/make_hybrid.py
src/pmx/scripts/ligands/one_ff_file.py
src/pmx_biobb.egg-info/PKG-INFO
src/pmx_biobb.egg-info/SOURCES.txt
src/pmx_biobb.egg-info/dependency_links.txt
src/pmx_biobb.egg-info/entry_points.txt
src/pmx_biobb.egg-info/not-zip-safe
src/pmx_biobb.egg-info/requires.txt
src/pmx_biobb.egg-info/top_level.txt