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openstructure
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a58471ffc602013c4dd97d3d39b40278319840c3
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cmake_boost_refactor
data_viewer
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export MeanlDDT data getter
cosmetics
prototype implementation for avg local CA lddt values in a structural ensemble
Merge branch 'master' into develop
Merge branch 'release-2.1.0' into master
2.1.0
2.1.0
fix DeprecationWarning: invalid escape sequence \d in regex
Added missing chem.types from the comounds dictionary
SCHWED-4896: extend control in PDBize
2.1.0-rc3
2.1.0-rc3
SCHWED-4896: Add IsOligosaccharide function with documentation and unit tests
Residue numbers must be unique when using them to align residues to a SEQRES
Update versions in macOS installation instructions
Fixed PDBize to restore bonds in branched entities correctly.
2.1.0-rc2
2.1.0-rc2
Disallow rnums outside SEQRES range if try_resnum_first in AlignToSEQRES
doc: SCHWED-862 we have InChI annotations in the compound lib
doc: make it clear that GetMMCifPDBChainTr needs an entity read with seqres=True
Update compile instructions for Ubuntu / Debian
Allow sip import in newer versions of PyQt5
Update version to 2.1.0
2.1.0-rc
2.1.0-rc
Fix spelling
Fix spelling
simplify docu
SCHWED-4858: Added changelog info for the carbohydrate extension
fix: SCHWED-4859 No overrun of insertion codes by large ligands
make HHblits unit test specific to version 3, as version 2 is deprecated
clarify error message when determining HHblits version string
don't autoimport everything in binding module
Use pdbx_entity_branch connectivity data in DNG
update CHANGELOG
Merge branch 'hhblits3' into develop
SCHWED-4851: some unit tests for branched entities
Merge branch 'develop' into hhblits3
Revert "allow to extract template info from several LinearPositionContainer at once"
Revert "Make data extraction helper specific to their tasks: DisCo and GMQE"
Revert "wrap data extracted from linear dbs in single objects"
SCHWED-4850: fixes to the documentation
SCHWED-4849: Allow to get branched entity information for a specific chain
SCHWED-4848: Gather ChainHandles of branched entities, documentation
SCHWED-4848: Gather ChainHandles of branched entities, Python export
SCHWED-4848: Gather ChainHandles of branched entities
Allow free positioning of entity category in mmCIF files
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