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Created with Raphaël 2.2.03Feb2131Jan2925242322211712111098543231Dec30222120181398753130Nov2928272322211615149831Oct242322Sep2120191186429Aug2824231817161511109831Jul2726252422211918141210765329Jun282320191512652131May302625242316121110954221Apr2019629Mar28242317161310976532128Feb222120171615109876131Jan3027262524232220191817161353123Dec222130Nov292818171615832131Oct2725427Sep252220141312876129Aug26252423mmcif 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: bugfixBump copyright yeardocu updatesmmcif reader: enable heterogeneities in entity_poly_seq parsingMore documentation updatesfeat: SCHWED-6178 read EM resolution from mmCIFcleanup extra white spaceDocumentation updatesmmcif writer: deal with special characters in stringspdb reader: Clarify behaviour when reading SEQRES recordsmmcif writer: bugfixmmcif writer: Simplify OLC guessing from compound namesmmcif writer: allow to pre-define entities in io.SaveMMCIFmmcif writer: Getter for extracted entities in MMCifWritermmCIF writer docs updateSmall additions to the StarWriter docsmmcif reader: provide info on mmCIF entitiesWrite '?' for empty values in the mmCIF writer - '?' means 'unknown', '.' means 'inapplicable'