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Created with Raphaël 2.2.06Feb5432131Jan2925242322211712111098543231Dec30222120181398753130Nov2928272322211615149831Oct242322Sep2120191186429Aug2824231817161511109831Jul2726252422211918141210765329Jun282320191512652131May302625242316121110954221Apr2019629Mar28242317161310976532128Feb222120171615109876131Jan3027262524232220191817161353123Dec222130Nov292818171615832131Oct2725427Sep2522201413128761mmcif writer: introduce _atom_site.pdbx_PDB_model_numUpdate version to 2.7.0update external USalign codeavoid deprecated use of std::iterator (deprecated with c++ 17)omf: bugfixtypodoc: add to changelog for 2.7.0refactor: save only the exception messagerefactor: make error messages more consistent in actionsrefactor: make error messages more pythonic and consistentchain mapping: reduce default for min_pep_length from 10 to 6update CHANGELOGmmcir writer: bugfixmmcif writer: docu updatemmcif writer: avoid hardcoded monomer id for water chainmmcif writer: ensure that all hetero residues are written in chem compmmcif writer: enable heterogeneities in predefined MMCifWriterEntitymmcif writer: refactor providing MMCifWriterEntityfix: clean error message for missing compound libTesting reading star formatted files with leading whitespacesAllow whitespaces in front of Star-formated linesmmcif reader: bugfixcleanup: remove unnecessary checkmmcif writer: re-enable Start counting entities at 1 in the mmCIF writerConvenience functions to get entity ids in MMCifInfo objectmmcif writer: Allow to manually assign chain names to MMCifWriterEntity objectsfix: identify biounit with string idfix: improve handling of invalid biounit indicesfeat: handle biounits in ligand scorer.refactor: use new CreateBU and SaveMMCIF functionsTypofix: extract ligands from IsLigand flagStart counting entities at 1 in the mmCIF writermmcif writer: cleanupmmcif writer: reduce number of CompoundLib queriesMake order of categories in mmCIF files more RCSB-likemmcif writer: Derive info on chemical components from compound librarydoc: SCHWED-6178 observation about experimental methodspoly/ non-poly/ branched entity handling like RCSB in mmCIF writermmcif writer: bugfix