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Created with Raphaël 2.2.018Jun1211106331May3029282724232221171613830Apr292624232215121110953220Mar1586129Feb2820191615141312765432131Jan2925242322211712111098543231Dec30222120181398753130Nov2928272322211615149831Oct242322Sep2120191186429Aug2824231817161511109831Jul2726252422211918141210765329Jun282320191512652131May302625242316121110954221Apr2019629Mar28242317161310976532128Feb222120171615109876131Jan302726fix: 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_reffix: add getter and setter methods for struct_refsStyle: replace tabs with spacesSCHWED-6331 increase verbosity levelSCHWED-6331 restore is_undef functionSCHWED-6331 string value can be replaced with ? when missingtest: SCHWED-6331 support for ? and . toofix: SCHWED-6331 make struct_ref_seq_dif.pdbx_seq_db_seq_num optionalfix: allow chain mapping errors in fault_tolerant modeligand scoring: docu updateligand_scoring: docu updatemmcif writer: add _chem_comp.nameligand scoring: integrate refactored ligand scoringligand scoring: update error state system in refactored ligand scorerligand scoring: implement simple state reporting for particular ligandsligand scoring: define human readable error statesligand scoring: add more unit tests to refactored ligand scoringligand scoring: add dict-style access of scoring result in refactored classesligand scoring: remove copy/paste leftover