2nd stable release of the haddock-tools
New
- param_to_json.py
Transform a haddockparam.web into a json structure to facilitate manipulation (e56f1c6) - passive_from_active.py
Output a list of passive residues surrounding active residues given as input (a6bc83e) - pdb_gethaddockterms.py
Extract HADDOCK terms (Eair, Evdw, Eelec, Edesolv and BSA) from HADDOCK formatted PDB file. (964975e, bb23737)
Modifications
- active-passive-to-ambig.py
Output to standard output, not to file anymore (a1e9702) - haddock_tbl_validation/validate_tbl.py
Add support for OR statements errors + add silent option (212ec96, 3898536) mutate.py-> pdb_mutate.py
Allow mutation input in command-line, improves consistency with CSB scripts (a129d4f, c1cbb4b)- pdb_strict_format.py
Improve regex pattern to parse ATOM/HETATM lines (191b999)