├── .gitignore ├── AnalyseBenchmarkResults.py ├── LICENSE ├── Makefile ├── README.md ├── active-passive-to-ambig.py ├── calc-accessibility.py ├── contact-chainID.cpp ├── contact-segid.cpp ├── create_cif.py ├── dipolar_segid.py ├── dipolar_segid_py2.py ├── example_data └── renumber_model │ ├── ref.pdb │ └── to_refine.BL00010001.pdb ├── haddock_tbl_validation ├── README ├── air.tbl ├── air_malformed.tbl ├── dani.tbl ├── dani_malformed.tbl ├── dihedral.tbl ├── dihedral_malformed.tbl ├── distance-or.tbl ├── distance-or_malformed.tbl ├── pcs.tbl ├── pcs_malformed.tbl └── validate_tbl.py ├── joinpdb ├── molprobity.py ├── naccess.config ├── param_to_json.py ├── passive_from_active.py ├── pdb_blank_chain ├── pdb_blank_chain-segid ├── pdb_blank_segid ├── pdb_chain-segid ├── pdb_chain-to-segid ├── pdb_gethaddockterms.py ├── pdb_mutate.py ├── pdb_segid-to-chain ├── pdb_setchain ├── pdb_strict_format.py ├── renumber_model.py ├── restrain_bodies.py └── restrain_ligand.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/.gitignore -------------------------------------------------------------------------------- /AnalyseBenchmarkResults.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/AnalyseBenchmarkResults.py -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/LICENSE -------------------------------------------------------------------------------- /Makefile: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/Makefile -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/README.md -------------------------------------------------------------------------------- /active-passive-to-ambig.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/active-passive-to-ambig.py -------------------------------------------------------------------------------- /calc-accessibility.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/calc-accessibility.py -------------------------------------------------------------------------------- /contact-chainID.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/contact-chainID.cpp -------------------------------------------------------------------------------- /contact-segid.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/contact-segid.cpp -------------------------------------------------------------------------------- /create_cif.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/create_cif.py -------------------------------------------------------------------------------- /dipolar_segid.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/dipolar_segid.py -------------------------------------------------------------------------------- /dipolar_segid_py2.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/dipolar_segid_py2.py -------------------------------------------------------------------------------- /example_data/renumber_model/ref.pdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/example_data/renumber_model/ref.pdb -------------------------------------------------------------------------------- /example_data/renumber_model/to_refine.BL00010001.pdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/example_data/renumber_model/to_refine.BL00010001.pdb -------------------------------------------------------------------------------- /haddock_tbl_validation/README: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/README -------------------------------------------------------------------------------- /haddock_tbl_validation/air.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/air.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/air_malformed.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/air_malformed.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/dani.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/dani.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/dani_malformed.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/dani_malformed.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/dihedral.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/dihedral.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/dihedral_malformed.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/dihedral_malformed.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/distance-or.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/distance-or.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/distance-or_malformed.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/distance-or_malformed.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/pcs.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/pcs.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/pcs_malformed.tbl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/pcs_malformed.tbl -------------------------------------------------------------------------------- /haddock_tbl_validation/validate_tbl.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/haddock_tbl_validation/validate_tbl.py -------------------------------------------------------------------------------- /joinpdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/joinpdb -------------------------------------------------------------------------------- /molprobity.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/molprobity.py -------------------------------------------------------------------------------- /naccess.config: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/naccess.config -------------------------------------------------------------------------------- /param_to_json.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/param_to_json.py -------------------------------------------------------------------------------- /passive_from_active.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/passive_from_active.py -------------------------------------------------------------------------------- /pdb_blank_chain: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_blank_chain -------------------------------------------------------------------------------- /pdb_blank_chain-segid: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_blank_chain-segid -------------------------------------------------------------------------------- /pdb_blank_segid: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_blank_segid -------------------------------------------------------------------------------- /pdb_chain-segid: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_chain-segid -------------------------------------------------------------------------------- /pdb_chain-to-segid: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_chain-to-segid -------------------------------------------------------------------------------- /pdb_gethaddockterms.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_gethaddockterms.py -------------------------------------------------------------------------------- /pdb_mutate.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_mutate.py -------------------------------------------------------------------------------- /pdb_segid-to-chain: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_segid-to-chain -------------------------------------------------------------------------------- /pdb_setchain: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_setchain -------------------------------------------------------------------------------- /pdb_strict_format.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/pdb_strict_format.py -------------------------------------------------------------------------------- /renumber_model.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/renumber_model.py -------------------------------------------------------------------------------- /restrain_bodies.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/restrain_bodies.py -------------------------------------------------------------------------------- /restrain_ligand.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/haddocking/haddock-tools/HEAD/restrain_ligand.py --------------------------------------------------------------------------------