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Created with Raphaël 2.2.017Feb1413111022Jan2120720Dec19131020Nov24Oct23211817152117Sep1613106428Aug2721201998629Jul2624232219181512119432128Jun272625212019181211106331May3029282724232221171613830Apr292624232215121110953220Mar1586129Feb2820191615141312765432131Jan2925242322211712111098543231Dec30222120181398753130Nov2928272322211615149831Oct242322Sep2120191186429Aug2824231817161511109831Jul2726252422211918141210765329Jun28232019update scoring example READMEremove macOS build instructionsupdate Ubuntu/Debian install docsfix CI (fingers crossed)scoring: add examples for compare-structures and compare-ligand-structures actionsEdit README - change do markdownUpdate version to 2.9.2compare-ligand-structures: give action more control over chem grouping/mappingdocu updatedocu updatedocu updateligand scoring: enable control over chain mapping parameters in ligand scoring classesligand scoring: reduce code duplication by moving stuff to parent classcompare-structures: Enable control over mdl chain mapping thresholdscoring: make chem grouping/mapping parameters accessible in Scorerbugfix: StringRef::rtrim returned string of length 1 in case of only spaceschain mapping: optionally restrict chem mapping to sensical onesOMF: direct getter for occupanciesfeat: save chain mapping of LDDT-PLIDoc: rename lDDT to LDDT as in paperdoc: clarify backbone -> representative backbone atomsmmcif writing: predefined mmcif entities for string writing functionspython export for EntityTypeFromChainTypetypommcif writing: Enable mmcif string writing from OMFOMF: extract backbone tracesOMF: construct Assemblies in OMF format starting from AU in OMF formatbiounits: re-organize storage of chain names from constructed biounitOMF: indexing bugfix to connect correct inter-chain atomsBUInfo: Get BU chain names without actually constructing BUmmCIF writer: Accept OMF format as inputMerge branch 'master' into developMerge branch 'release-2.9.1'2.9.12.9.1Update version to 2.9.1update CHANGELOGcompare-ligand-structures action: remove dead codecompare-ligand-structures action: pass fault_tolerant flag to PDB parsercompare-ligand-structures action: assign filename as structure nameOMF: avoid infinit loop when reconstructing compressed tri-peptidesligand scoring: refactoring of input processing