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Created with Raphaël 2.2.013Apr12821Feb27Jan26252420192Dec29Nov2221191726Oct16Sep1518Aug30Jul15130Jun1710May76530Apr24Mar20Feb936Jan530Dec111018Nov1098654228Oct27252115131076517Sep28Aug20631Jul3027242322212018171615131097225Jun2218157218May131127Apr20171626Mar2319161163226Feb2524201918171413121110765329Jan171413107230Dec201918171698653229Nov2827262523212015141323Oct144330Sep2523328Aug12510Jul942124Jun191817141312331May29272423222016151413924Apr179320Mar1514625Feb2019171411765432130Jan24221615141311109818Dec13328Nov222120923Oct326Sep2413106514Aug13109731Julvariable 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 MSMSUpdate README.rstMerge branch 'master' into developMerge branch 'release-2.3.0'2.3.02.3.0drop dssp from DockerfileDeprecate calling external dssp programprefer makeblastdb (BLAST+) over formatdb (legacy BLAST)re-enable basex kwarg in plt.xscale for old matplotlib versionsprefer blastp over blastall when looking for blast executablecheck for healthy stream after readingintroduce magic number and version in OMFreplace basex kwarg with base in plt.xscale call (basex is deprecated)Update version to 2.3.02.3.0-rc2.3.0-rcupdate library versions in install instructionsremove ENABLE_IMG cmake flagConsider file suffix when loading structures in compare-structures actionOMF documentationadd basic OMF unit testsinteger packing bug in OMF