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openstructure
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201c66dd10571fa7d117653daf6b3a9172b7804f
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Don't test secondary structure annotation
make HHblits tests agnostic of any scicore specific env variables
Separate bindings for HHblits2 and HHblits3
Fix unit test
Mark branched entities as polymers
Spelling
SCHWED-4848: Function to get chain names of branched entitis
SCHWED-4850: Essential documentation
Documentation and renaming of a class for branched entities
Merge branch 'develop' into carbohydrates
Update macOS installation instructions
SCHWED-4846: Admire branched entitiy links bond orders.
SCHWED-4835: Connect branched entities when loaded from mmCIF
Removed the need for an Editor from connecting branched entities out of mmCIFInfo
SCHWED-4847: Export functions to handle branched entitites to Python
SCHWED-4847: Export the entity branch map
SCHWED-4847: Export the MMCifInfoEntityBranch class to Python.
SCHWED-4835: Create bonds for entity branch on per atom pair basis
SCHWED-4835: Create bonds for entityt branch links
Update macOS installation instructions
SCHWED-4696: Unit testing pdbx_entity_branch parsing
SCHWED-4696: Read pdbx_entity_branch for a better chain description
SCHWED-4696: Mention new branched chain type in documentation.
SCHWED-4696: Allow 'branched' chain(types)
document default values in profile building
use subprocess.run instead of Popen
Fixed spelling
A hint for macOS issues.
Update compilattion instructions for macOS
Move secondary structure assignment in a3m building to separate function
Bugfix patch of HHblits 3.2 module on sciCORE cluster changes output
avoid hardcoded evalue thresh when building hhblits profile
give missing argument a default value to make example code run through...
load sequence profiles from strings
ignore columns where both sequences have a gap - an error was thrown in such cases
Enable documentation parser to deal with unicode
Update macOS installation instructions
wrap data extracted from linear dbs in single objects
Make data extraction helper specific to their tasks: DisCo and GMQE
Added new ChemClass observed in HSQ
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