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Created with Raphaël 2.2.021Feb2015931Dec301328Nov6220Oct27Sep212030Aug292423221817161028Jul27262521201312111076521Jun1413130May292519171612Apr117531Mar2221201715141310987632124Feb23221323Jan1716Nov1511109331Oct261710525Sep69Jul2124Jun232014830May2520131Apr1Mar29Feb26241810919Jan23Dec1730Nov1930Oct2312925Sep18171443131Aug30262421151422Jul151073130Jun26829May2820181513765430Apr29282724222120181716531Mar3020191716543223Feb212012931Jan23222Dec126Nov2522212030Oct2928272413986330Sep22191817152113Aug8723Jul17Jun20May17231Mar131028Jan24226Dec24Nov1511875430Oct27feat: SCHWED-3126 Implementation of basic Molck functionrefactor: SCHWED-3126 Pull out functions out of molck mainfeat: SCHWED-3096 A working version including tests passingMerge branch 'develop' into dockerizefix: Checkout develop branchdocs: Update READMEdocs: Update READMEfeat: Dockerize OSTAdd new ligand type to chemdict_parser.fix broken unit testcosmeticsmake it compile with gcc 7.2Enabled and fixed numpy unit testMinor doc updateMerge branch 'master' into developMerge branch 'release-1.7'1.7.01.7.0Fix unit test compilation issues on Boost versions >= 1.59Minor doc fix and include fix for compilation with some compilers.SCHWED-2503: updated CHANGELOG1.7.0-rc21.7.0-rc2Doc update - clarify extra-residues in QS-lddt structuresSomeone forgot to export the new ChainTypes to Python.Doc update - properly link mmCIF parts.Removed out-dated advice to use non-existing OST binariesuse UpdatePositions function of simulation object instead of manually setting the positionsUpdated doc for entity and getting/setting atom positions with numpy.Hack to make context reinitialization openmm version agnosticupdate citationMake sure position, velocity etc. information is preserved when reinitializeing openmm contextMinor doc fixes.Fix missing stdint includes.Clarify documentation of debug logging levels.Fixed make install for OpenMM plugin.1.7.0-rc1.7.0-rcRemoved cmake-hard-coded OST path from settings.hh.SCHWED-2638: fixed/cleaned-up dssp-locate-check in unit testsMerge branch 'develop' into release-1.7SCHWED-2640: Fix mmCIF book title parsingSet the accessibility of all residues to 0.0 in the beginningAdd solvent accessibility calculations - the DSSP styleFix type to actually execute unit testremove evil tab