LICENSE
MANIFEST.in
README.rst
setup.cfg
setup.py
versioneer.py
src/pmx/__init__.py
src/pmx/_version.py
src/pmx/alchemy.py
src/pmx/analysis.py
src/pmx/atom.py
src/pmx/atomselection.py
src/pmx/builder.py
src/pmx/chain.py
src/pmx/estimators.py
src/pmx/ffparser.py
src/pmx/forcefield.py
src/pmx/geometry.py
src/pmx/gmx.py
src/pmx/library.py
src/pmx/model.py
src/pmx/molecule.py
src/pmx/mutdb.py
src/pmx/ndx.py
src/pmx/options.py
src/pmx/parser.py
src/pmx/rotamer.py
src/pmx/utils.py
src/pmx/xdrfile.py
src/pmx/xtc.py
src/pmx/data/aminoacids.pkl
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/ffamber99sb.rtp
src/pmx/data/ffamber99sbbon.itp
src/pmx/data/ffamber99sbnb.itp
src/pmx/data/rna.pkl
src/pmx/data/mutff/atommass.dat
src/pmx/data/mutff/elements.dat
src/pmx/data/mutff/ffamber99sb-c.tdb
src/pmx/data/mutff/ffamber99sb-n.tdb
src/pmx/data/mutff/ffamber99sb.atp
src/pmx/data/mutff/ffamber99sb.hdb
src/pmx/data/mutff/ffamber99sb.itp
src/pmx/data/mutff/ffamber99sb.mtp
src/pmx/data/mutff/ffamber99sb.rtp
src/pmx/data/mutff/ffamber99sbbon.itp
src/pmx/data/mutff/ffamber99sbnb.itp
src/pmx/data/mutff/ions.itp
src/pmx/data/mutff/residuetypes.dat
src/pmx/data/mutff/spc216.gro
src/pmx/data/mutff/spce.itp
src/pmx/data/mutff/specbond.dat
src/pmx/data/mutff/tip3p.gro
src/pmx/data/mutff/tip3p.itp
src/pmx/data/mutff/vdwradii.dat
src/pmx/data/mutff/xlateat.dat
src/pmx/data/mutff/amber14sbmut.ff/Makefile.am
src/pmx/data/mutff/amber14sbmut.ff/Makefile.in
src/pmx/data/mutff/amber14sbmut.ff/aminoacids.arn
src/pmx/data/mutff/amber14sbmut.ff/aminoacids.c.tdb
src/pmx/data/mutff/amber14sbmut.ff/aminoacids.hdb
src/pmx/data/mutff/amber14sbmut.ff/aminoacids.n.tdb
src/pmx/data/mutff/amber14sbmut.ff/aminoacids.r2b
src/pmx/data/mutff/amber14sbmut.ff/aminoacids.rtp
src/pmx/data/mutff/amber14sbmut.ff/aminoacids.vsd
src/pmx/data/mutff/amber14sbmut.ff/atomtypes.atp
src/pmx/data/mutff/amber14sbmut.ff/dna.arn
src/pmx/data/mutff/amber14sbmut.ff/dna.hdb
src/pmx/data/mutff/amber14sbmut.ff/dna.r2b
src/pmx/data/mutff/amber14sbmut.ff/dna.rtp
src/pmx/data/mutff/amber14sbmut.ff/ffbonded.itp
src/pmx/data/mutff/amber14sbmut.ff/ffnonbonded.itp
src/pmx/data/mutff/amber14sbmut.ff/forcefield.doc
src/pmx/data/mutff/amber14sbmut.ff/forcefield.itp
src/pmx/data/mutff/amber14sbmut.ff/gbsa.itp
src/pmx/data/mutff/amber14sbmut.ff/ions.itp
src/pmx/data/mutff/amber14sbmut.ff/mutres.mtp
src/pmx/data/mutff/amber14sbmut.ff/mutres.rtp
src/pmx/data/mutff/amber14sbmut.ff/rna.arn
src/pmx/data/mutff/amber14sbmut.ff/rna.hdb
src/pmx/data/mutff/amber14sbmut.ff/rna.r2b
src/pmx/data/mutff/amber14sbmut.ff/rna.rtp
src/pmx/data/mutff/amber14sbmut.ff/spc.itp
src/pmx/data/mutff/amber14sbmut.ff/spce.itp
src/pmx/data/mutff/amber14sbmut.ff/tip3p.itp
src/pmx/data/mutff/amber14sbmut.ff/tip4p.itp
src/pmx/data/mutff/amber14sbmut.ff/tip4pew.itp
src/pmx/data/mutff/amber14sbmut.ff/tip5p.itp
src/pmx/data/mutff/amber14sbmut.ff/urea.itp
src/pmx/data/mutff/amber14sbmut.ff/watermodels.dat
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.arn
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.arn_backup
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.c.tdb
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.hdb
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.n.tdb
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.r2b
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.rtp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/aminoacids.vsd
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/atomtypes.atp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/backup_ffbonded_for_ildn_test.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/backup_mutres
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/correct_ffbonded.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/dna.arn
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/dna.hdb
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/dna.r2b
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/dna.rtp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/ffberger.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/ffbonded.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/ffnonbonded.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/forcefield.doc
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src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/gbsa.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/ions.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/mutres.mtp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/mutres.rtp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/mutres_dna.mtp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/mutres_dna.rtp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/popc_AmbBer.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/popc_AmbBer_posre.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/rna.arn
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/rna.hdb
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/rna.r2b
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/rna.rtp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/spc.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/spce.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/tip3p.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/tip4p.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/tip4pew.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/tip5p.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/urea.itp
src/pmx/data/mutff/amber99sb-star-ildn-bsc1-mut.ff/watermodels.dat
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/aminoacids.arn
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/aminoacids.c.tdb
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/aminoacids.hdb
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/aminoacids.n.tdb
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/aminoacids.r2b
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/aminoacids.rtp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/aminoacids.vsd
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/atomtypes.atp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/backup_ffbonded_for_ildn_test.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/backup_mutres
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/correct_ffbonded.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/dna.arn
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/dna.hdb
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/dna.r2b
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/dna.rtp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/ffberger.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/ffbonded.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/ffnonbonded.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/forcefield.doc
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/forcefield.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/gbsa.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/ions.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/mutres.mtp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/mutres.rtp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/mutres_dna.mtp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/mutres_dna.rtp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/popc_AmbBer.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/popc_AmbBer_posre.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/rna.arn
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/rna.hdb
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/rna.r2b
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/rna.rtp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/spc.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/spce.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/tip3p.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/tip4p.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/tip4pew.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/tip5p.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/urea.itp
src/pmx/data/mutff/amber99sb-star-ildn-dna-mut.ff/watermodels.dat
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/aminoacids.arn
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/aminoacids.c.tdb
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/aminoacids.hdb
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/aminoacids.n.tdb
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/aminoacids.r2b
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/aminoacids.rtp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/aminoacids.vsd
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/atomtypes.atp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/dna.arn
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/dna.hdb
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/dna.r2b
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/dna.rtp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/ffbonded.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/ffnonbonded.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/forcefield.doc
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src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/gbsa.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/ions.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/mutres.mtp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/mutres.rtp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/rna.arn
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/rna.hdb
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/rna.r2b
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/rna.rtp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/spc.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/spce.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/tip3p.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/tip4p.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/tip4pew.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/tip5p.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/urea.itp
src/pmx/data/mutff/amber99sb-star-ildn-mut.ff/watermodels.dat
src/pmx/data/mutff/charmm22star-mut.ff/aminoacids.arn
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src/pmx/data/mutff/charmm22star-mut.ff/aminoacids.rtp
src/pmx/data/mutff/charmm22star-mut.ff/aminoacids.vsd
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src/pmx/data/mutff/charmm22star-mut.ff/cmap.itp
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src/pmx/data/mutff/charmm22star-mut.ff/gb.itp
src/pmx/data/mutff/charmm22star-mut.ff/ions.itp
src/pmx/data/mutff/charmm22star-mut.ff/lipids.hdb
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src/pmx/data/mutff/charmm36m-mut.ff/tip4p.itp
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src/pmx/data/mutff45/elements.dat
src/pmx/data/mutff45/residuetypes.dat
src/pmx/data/mutff45/spc216.gro
src/pmx/data/mutff45/specbond.dat
src/pmx/data/mutff45/vdwradii.dat
src/pmx/data/mutff45/xlateat.dat
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src/pmx/data/mutff45/amber99sb-star-ildn-mut.ff/aminoacids.n.tdb
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src/pmx/scripts/prepare_crooks_runs.py
src/pmx/scripts/set_gmxlib.py
src/pmx/scripts/setup_abfe.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