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openstructure
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28f8614091a899d520a244837882a5b5e0f1f6e8
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cmake_boost_refactor
data_viewer
develop
protected
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mmtf
no_boost_filesystem
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feat: SCHWED-5783 accept ligands as input
Merge branch 'develop' into ligand_scoring
fix: copy chain type and description in Copy()
dont remove non standard res
OMF: add name property to OMF format
OMF: optimize secondary structure compression
feat: SCHWED-5783 skeleton for ligand scoring
doc: warning about is_ligand
OMF: add file required in unit tests
OMF: expose internal data without requirement of constructing ost EntityHandle
OMF: enable CA-only OMF
OMF: store chain type (POLY, NON_POLY etc.)
OMF: make version available
OMF unit tests
transfer ChemType property in PDBize
Improve compression in OMF
Load mmcif from strings
scoring bugfix
scoring.py bugfix
bugfix
scoring: add interface patch scores
stereocheck: extend unit tests
stereocheck: docu updates
stereochemistry unit tests
stereochemistry unit tests
Correct naming in hardcoded stereochemistry parameters
Explicitely strip " from atom names for stereochemistry param
integrate new stereochemistry code into ost.mol.alg.scoring.Scorer
Introduce ClashInfo, BondViolationInfo, AngleViolationInfo
Support inter residue bond/angles in stereochemistry checks
default stereo parameters from CCP4 MON_LIB
move doc of old stereo checks into own deprecated section
Add function to filter structure by stereochemistry issues: StereoCheck
stereochemistry documentation
bugfix
add stereochemistry Python module
lDDT: bugfix
Allow all ASCII characters when parsing chain names in CAD score results
enable CAD score in Scorer object
enable chain mappings in CAD score binding
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