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openstructure
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dbeba018f514335bc839b167e57fdfcae73cd39d
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8
cmake_boost_refactor
data_viewer
develop
protected
master
default
protected
mmtf
no_boost_filesystem
non-orthogonal-maps
ubuntu_ci
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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
Ensure correct elements for terminal oxygens when using AMBER forcefield
avoid floating point accuracy edge case in unit test
Scorer object that provides a framework for various scores available in ost
ensure proper processing of Entity when calling Molck
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