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Created with Raphaël 2.2.020Aug1998629Jul2624232219181512119432128Jun272625212019181211106331May3029282724232221171613830Apr292624232215121110953220Mar1586129Feb2820191615141312765432131Jan2925242322211712111098543231Dec30222120181398753130Nov2928272322211615149831Oct242322Sep2120191186429Aug2824231817161511109831Jul2726252422211918141210765329Jun282320191512652131May302625242316121110954221Apr2019629Mar28fix: report disconnected rather than single_ligand_issuedoc: correct argument namesdoc: restore unassigned states and add new codeschain mapping: reduce likelihood of grouping dissimilar sequences togetherscoring: Log updatescoring: force peptide/nucleotide connectivity based on residue numbersscoring.Scorer: allow to set custom lDDT SymmetrySettingscomparison actions: add ost version to json outdockq: make results more similar to DockQ v2.2.1Penalize added model contacts by default in lDDT-PLIlog: display the chain name for clarityfix: export documented functionmmcif writer: sanity checks - no duplicate atoms and strictly increasing resnumsscoring: reduce compute time for GDT with minimal decrease in accuracyfix: restore -h argumentfix: exit with error code if nothing was readScoring: Set transformation matrix to identity matrix if NO residue is mappedfix: better error messagetest: check error code from commandfix: exit with error code if invalid arguments are giventest: hide warningstest: reading (or not) of BIRD (PRD) compoundsfix: skip missing creation/modification datesfix: do not fill compound lib with invalid compounds and atomsfix: raise clean error if date is invalidrefactor: move undefined function to Star parsertest: ignore lines that are no longer constantfix: only read multiple data blocks in fault_tolerant modefix: allow duplicate _struct_ref_seq.align_id in fault_tolerant modefix: fill header lineScoring: edge cases in Scorer.transform/Scorer.rigid_transformGDT: improve optimization and handle edge cases with low number of positionstests: skip tests if compound lib is not availableQS-score: improve handling of edge cases without mapped interface residuesAdd --by-model-ligand-output argumentDocument and log about unread models in mmCIF readerAdd comment for developers on how to restore tracebacksfeat: Add CSV outputfix: silence tracebacks by default againdoc: remove duplicate method description