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Created with Raphaël 2.2.02Jun124May181710954228Apr27212019141312821Feb27Jan26252420192Dec29Nov2221191726Oct16Sep1518Aug30Jul15130Jun1710May76530Apr24Mar20Feb936Jan530Dec111018Nov1098654228Oct27252115131076517Sep28Aug20631Jul3027242322212018171615131097225Jun2218157218May131127Apr20171626Mar2319161163226Feb2524201918171413121110765329Jan171413107230Dec201918171698653229Nov2827262523212015141323Oct144330Sep2523328Aug12510Jul942124Jun191817141312331May29272423222016151413924Apr179320Mar1514625Feb2019171411765432130Jan24221615141311109818Dec13328Nov222120923Oct326Sep24lDDT: Introduce selectable strategies for seed picking in greedy extensionlDDT: Add greedy heuristic to chain mapping to reduce complexitylDDT: add lDDT based chain mapping using cachinglDDT: bugfixlDDT: Functions to compute number of possible chain mappingslDDT: add lDDT based chain mapping functionality - work in progresslDDT: bugfixenable nucleotide as query prop => prot.Select("nucleotide=true")export is_nucleotide attribute for residuesadd MATCH and NUC44 substitution matricesintroduce IDENTITY substitution matrixlDDT: generalize calpha flag to also deal with nucleotides (C3' as ref atom)lDDT: consistent use of ndarrays, also in case of empty default valueslDDT: flag to compute lDDT only on inter-chain contactslDDT: avoid zero divisions - return None for scores with 0 expected contactsOnly add interactions with non-zero force constant in TopologyCreatorbugfix: avoid Eigen assertion in FindMembrane with cmake flag -DOPTIMIZE=0lDDT: remove debug outputlDDT: add missing filelDDT: add specialized lDDT flavours - Introducing: lDDT-BSPython export for GetHashCode in ResidueHandlelDDT: hide deprecated C++ lDDTScorer classlDDT: docu updateslDDT: Make compound_lib optional in lDDTScorerlDDT: docu updateslDDT: docu updateslDDT: make matching residue names in model/target optional (on by default)lDDT: code cleanupslDDT: add flag to comput CA-lDDTlDDT: code cleanuprefactor Oligo lDDT scoring - BEHAVIOUR CHANGESlDDT: return number of expected and conserved global contacts if requestedbugfix: cast np.int64 to intchange local_contact_prop naming schemevariable renamingadd exp and conserved contacts as int prop to scored model if requestedadd function to extract number of contacts expected for a certain chainlddt speedups through cachingfancify import in lddt unit testadd fast and flexible Python lDDT implementation