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b288d57d7844ddb00dbe49f76f82b71411a5ace5
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mmtf
no_boost_filesystem
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2.9.3
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Update version to 2.3.0
2.3.0-rc
2.3.0-rc
update library versions in install instructions
remove ENABLE_IMG cmake flag
Consider file suffix when loading structures in compare-structures action
OMF documentation
add basic OMF unit tests
integer packing bug in OMF
Proper rounding when doing integer compression for floats
handle inter-chain bonds in assymetric unit
update CHANGELOG
Merge branch 'develop' into omf
update CHANGELOG
add support for AAindex database (Kawashima et al., 2000)
process all _struct_conf_type.id in mmcif_pdbx_v50.dic
Documentation fix
PDBize: do not put chains marked as 'polymer' in the ligand chain.
update CHANGELOG
remove GUI support in Dockerfile
Fix sciCORE GitLab URL in Dockerfile
Initial version of mmseqs2 binding
HHblits binding needs to set abspath to filename variable
move stuff out of header file
use integer packing instead of storing outliers in separate vecs
hacks to reduce omf file size
speedups
initial commit for experimental binary file format
python3: fix TypeError: '<' not supported between instances of 'dict' and 'dict'
fix namespace
move PagedArray datastructure to base module
check for valid data stream when reading PagedArray
Extend the documentation of InsertChain
avoid atan2(0.0, 0.0) in Dihedral::SetAngleICS
No need for special treatment. Gets handled fine at a later stage.
avoid capture_output kwarg in subprocess.run as it would require Python 3.7
Fallback if dssp binding is used with dssp 4 (https://github.com/PDB-REDO/dssp)
correct setup of testing data
make img.base.test_image unit test more permissive
make mol.mm.simulation unit test more permissive
Clarify that it's to keep ICS up-to-date and not lazy eval.
Clarify to use XCSEditor to access EditorBase functions
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