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Created with Raphaël 2.2.028Apr27212019141312821Feb27Jan26252420192Dec29Nov2221191726Oct16Sep1518Aug30Jul15130Jun1710May76530Apr24Mar20Feb936Jan530Dec111018Nov1098654228Oct27252115131076517Sep28Aug20631Jul3027242322212018171615131097225Jun2218157218May131127Apr20171626Mar2319161163226Feb2524201918171413121110765329Jan171413107230Dec201918171698653229Nov2827262523212015141323Oct144330Sep2523328Aug12510Jul942124Jun191817141312331May29272423222016151413924Apr179320Mar1514625Feb2019171411765432130Jan24221615141311109818Dec13328Nov222120923Oct326Sep2413106514Augbugfix: 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 implementationBugfix: zero-division when atoms with equal vdw radii are on top of each otherMerge branch 'master' into developMerge branch 'release-2.3.1'2.3.12.3.1use ost 2.3.0 container as base image in Singularity recipe for 2.3.1Merge branch 'release-2.3.1'update CHANGELOG2.3.1-rc2.3.1-rcUpdate version to 2.3.1Revert installation instructions for macOSremove unused var in DockerfileExtend macOS installationd escription to MontereyDocumentation - line lengthNew description on how to compile OST on MacOSremove unnecessary includeresolve segfault in dng observed with Python 3.9adapt mol.mm unit tests to OpenMM 7.7simplify Dockerfile - remove MSMS
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