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Created with Raphaël 2.2.021Jan1714Sep13129875130Aug292524191211226Jul25211918141211876513Jun8217May1211109324Apr125Mar87421DistStructAnno: set unlikely distances to max_dist instead of NonemainmainDistStructAnno: annotates distances to user defined structure queriesMerge branch 'main' into feature-modelciffeature-modelciffeature-modelcifRemoved debug codeChange titles in ModelCIF files.Unclutter pathsOutput directory as argumentRemove B-factors for structure editing modelsRemove pLDDTs from models after structure editingFix waterFix ligands marked as 'ATOM' instead of 'HETATM'Order chains & entities following model/ template chain names.Add target references for ligandsPEP8Add ma_template_ref_db_details.db_version_dateZip associated cif files.Fixed alignment descriptionTemplate alignment (superposition) modelsReplace UNK with ligand nameInput data for target template alignment protocol step.Properly check for BLAST db existence in PROVEAN VarSeqAnnoLigands get no B factorExchange 'UNL' in protocol step with ligand name.Fix citationsRibosome modelDetect duplicated models, like heteromersModelCIF: get input parameters rightHandle offsetsChange entity descriptionAdd ligand to model/ model group descriptionGet begin and end of template sequences rightBetter assembly dscription for heteromersRef. DBs for ligandsMulti-step, modelling & ligand transfer, get input rightGet input for ligand transfer rightCorrect alignment handling for homology modelsBetter naming of targert-template alignmentsRename UNLsStore extra info for novel ligandsFIne grained handling of implicit and explicit ligands
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