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Created with Raphaël 2.2.027Jun2625212019181211106331May3029282724232221171613830Apr292624232215121110953220Mar1586129Feb2820191615141312765432131Jan2925242322211712111098543231Dec30222120181398753130Nov2928272322211615149831Oct242322Sep2120191186429Aug2824231817161511109831Jul2726252422211918141210765329Jun282320191512652131May302625242316121110954221Apr2019629Mar28242317161310976532128Feb22212017161510scoring: Allow to set custom mapping for default AND rigid mappingdoc: refactor mol.alg submodulesRefactor ligand_scoring importsfix qsscoring unit testupdate CHANGELOGresolve deprecation warning in base.tablelddt: define OP1 and OP2 atoms in nucleotides as symmetriccompare-ligand-structures refactoringchain mapping: Use lDDT for mappings involving nucleotides - introduces optimized bb lDDTparasail as drop-in replacement for LocalAlign/GlobalAlign.SemiGlobalAlignremove debut outputupdate CHANGELOGsubtitution matrices: Add string identifier and remove MATCH and IDENTITY presetsSCHWED-6339: segfault for editor.Connect for large polymersSCHWED-6298: QS-score for two monomers is defined as 1.0Return None in case of no contacts in QS-scoretypo: replace tabs with spacesfix variable name typofix: set type of newly created chainenable pairwise sequence alignments with parasailcompare-structures action: docu updatefix: lDDT-PLI unassigned with no_contact if only model has no contactsReplace tabs with spacestest: remove check_resnamerefactor: drop check_resnames and set it to FalseSpecify public interface in scoringfix importSimplify importsImplement CAPRI protein-peptide scoring as described in PMID 31886916Allow '.' for occupancy in mmCIF files.add ilddt score to mol.alg.scoring.Scorer and compare-structures actionupdate CHANGELOGMerge branch 'refactor_lddt_pli' into developligand scoring: docu updateligand scoring: enable added mdl contacts in compare-ligand-structures actionligand scoring: adapt compare-ligand-structures action to new developmentsligand scoring: cleanupdoc: items were checked to be mandatory/optional per mmCIF dictionaryfix: StructRefs setter and getters need more wrappingdoc: updates for struct_ref