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Created with Raphaël 2.2.019Dec131020Nov24Oct23211817152117Sep1613106428Aug2721201998629Jul2624232219181512119432128Jun272625212019181211106331May3029282724232221171613830Apr292624232215121110953220Mar1586129Feb2820191615141312765432131Jan2925242322211712111098543231Dec30222120181398753130Nov2928272322211615149831Oct242322Sep2120191186429Aug2824231817161511109831Jul2726252422211918141210765329Jun282320191512652131May302625compare-ligand-structures action: assign filename as structure nameOMF: avoid infinit loop when reconstructing compressed tri-peptidesligand scoring: refactoring of input processingPython export of GetHashCode for mol.EntityHandlePython export of IsNucleotideLinking for conop.CompoundFix typoMerge branch 'master' into developMerge branch 'release-2.9.0'2.9.02.9.0Merge branch 'develop' into release-2.9.0Skip reserved compounds in our compound librarydocu updateReduce max_symmetries for LDDT-PLIAdd control over max_symmetries to actionlog: increase verbosity level of symmetriesbugfix: correctly parse numeric types in compare-ligand-structures actionClarify error message.SDF reader reads .mol files as welltypodoc: IO profiles in SDF readerfeat: add IOProfiles in SDF reader for bad bondsMake bb_rmsd the RMSD of superposed atomsUpdate ligand scoring docdoc: fix Sphinx warningupdate CHANGELOGAdd more minor things to the CHANGELOGTyposdoc: minor improvements for ligand scorer objectsUpdate CHANGELOGUpdate version to 2.9.0remove GDT attributes from chain_mapping.ReprResultbugfix: avoid segfault when aligning empty sequences with parasaillddt: bugfix only affecting per-atom lDDT scoresscoring: correctly handle per-atom lDDT scores in case of stereocheckslDDT: avoid zero division when computing per-atom lDDT scorescompare-structures: set lddt inclusion radius as argumentics/ips: make per-interface scores for trimmed variant availableICS/IPS: Optionally compute on trimmed modelfix: inconsistent residues is a tuple of residueslddt: enable per-atom lDDT scorescompare-structures: add rigid scores specific chain mapping in json output