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Created with Raphaël 2.2.09Feb876131Jan3027262524232220191817161353123Dec222130Nov292818171615832131Oct2725427Sep252220141312876129Aug2625242322191816158432129Jul28272625131211658Jun32124May181710954228Apr27212019141312821Feb27Jan26252420192Dec29Nov2221191726Oct16Sep1518Aug30Jul15130Jun1710May76530Apr24Mar20Feb936Jan530Dec111018Nov1098654228Oct27252115131076517Sep28Aug20631Jul3027242322212018171615131097225Jun2218157218May131127Apr20171626Mar2319161163226Feb2524201918171413121110765329Jan171413107230Dec201918171698653229Nov28272625232120fix: SCHWED-5783 don't erase better chain mappingsupdate CHANGELOGinclude per-interface qs scores in ScorerEnable QS-score computations for single interfacesfix: SCHWED-5783 distinguish between 0 lDDT and no matchgeneralize DockQ score namesfix: SCHWED-5783 catch absence of ligandsfix: SCHWED-5783 make element uppercase by conventiondelete dead coderefactor: don't expose graphsrefactor: SCHWED-5783 shorten callsfix: SCHWED-5783 element case is unspecified in OSTMinor documentation improvementcleanup: SCHWED-5783 drop assignment matricesrefactor: use chain/resname dict to avoid qualified name as keysfeat: SCHWED-5783 add transform to outputdoc: atom_count and bond_countdoc: omega_torsiondoc: geometric_centerdoc: consistently have .handle as first attribute in Viewsdoc: improve indexingdoc: cleanupdoc: qualified_name on residuesdoc: qualified_name is not guaranteed to be uniquedoc: SCHWED-5783 values for unmapped ligandscode cleanupcode cleanupdoc: SCHWED-5783 document deep on AppendResiduefix: SCHWED-5783 add bonds to copied ligandfix: SCHWED-5783 assign within functionrefactor: SCHWED-5783 defer assignmentfeat: SCHWED-5783 report progress during processingfeat: SCHWED-5783 raise if ligands are not connectedadd dockq attributes to Scorer objects (irmsd, lrmsd, fnat, fnonat etc.)include number of model chains in chain mapping heuristictest: SCHWED-5783 add missing test filefeat: SCHWED-5783 enable tests in CItest: SCHWED-5783 test the right matrixdoc: fix duplicate object description warningdoc: SCHWED-5783 fixup doc