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openstructure
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bd4b59bb1bd3e07ac3b69ae30ac035cffd28e769
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mmcif writer: deal with special characters in strings
pdb reader: Clarify behaviour when reading SEQRES records
mmcif writer: bugfix
mmcif writer: Simplify OLC guessing from compound names
mmcif writer: allow to pre-define entities in io.SaveMMCIF
mmcif writer: Getter for extracted entities in MMCifWriter
mmCIF writer docs update
Small additions to the StarWriter docs
mmcif reader: provide info on mmCIF entities
Write '?' for empty values in the mmCIF writer - '?' means 'unknown', '.' means 'inapplicable'
fix: IndexError when the data contains NaN values
mmcif writer: docu update
mmcif writer: docu update
mmcif writer: docu updates
mmcif writer: correctly guess _entity.type "branched"
mmcif writer: docu updates
scoring: add DockQ specific fnonnat to compare-structures output
mmcif writer: bugfix
mmcif writer: doc update
scoring: min_pep_length/min_nuc_length in compare-structures action
Update the info on calling the documentation make.py script./
mmcif writer: Set user defined mmCIF entities
mmcif writer: Make MMCifWriterEntity available from Python
Merge branch 'master' into develop
Merge branch '2.6.1'
update CHANGELOG
2.6.1
2.6.1
Update version to 2.6.1
bugfix
typo
test: SCHWED-6117 tests for reserved and obsolete skips
compare-structures: avoid writing NaN to JSON
OMF: clarify error message
Merge branch 'mmcif_writing' into develop
docu update
mmcif writer: introduce EntityToMMCifString
doc: new chemdict_tool flags
refactor: use OST logging
feat: optionally ignore obsolete compounds
mmcif writer: cleanup
mmcif writer: enable _pdbx_entity_branch category
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