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openstructure
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23e7b0d9ebb8b7c87e401fd3553635e50097a8a0
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mmtf
no_boost_filesystem
non-orthogonal-maps
ubuntu_ci
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feat: SCHWED-5783 add transform to output
doc: atom_count and bond_count
doc: omega_torsion
doc: geometric_center
doc: consistently have .handle as first attribute in Views
doc: improve indexing
doc: cleanup
doc: qualified_name on residues
doc: qualified_name is not guaranteed to be unique
doc: SCHWED-5783 values for unmapped ligands
code cleanup
code cleanup
doc: SCHWED-5783 document deep on AppendResidue
fix: SCHWED-5783 add bonds to copied ligand
fix: SCHWED-5783 assign within function
refactor: SCHWED-5783 defer assignment
feat: SCHWED-5783 report progress during processing
feat: SCHWED-5783 raise if ligands are not connected
add dockq attributes to Scorer objects (irmsd, lrmsd, fnat, fnonat etc.)
include number of model chains in chain mapping heuristic
test: SCHWED-5783 add missing test file
feat: SCHWED-5783 enable tests in CI
test: SCHWED-5783 test the right matrix
doc: fix duplicate object description warning
doc: SCHWED-5783 fixup doc
fix: SCHWED-5783 set graph attributes correctly
cleanup: SCHWED-5783 code cleanup
fix: SCHWED-5783 no longer needed
Merge remote-tracking branch 'origin/develop' into ligand_scoring
test: SCHWED-5783 updated matrix access
test: SCHWED-5783 test the score results
refactor: SCHWED-5783 use np.inf for consistency
doc: SCHWED-5783 document new properties
feat: SCHWED-5783 report qualified name in mapping
feat: SCHWED-5783 skip confusing local lDDT values
feat: SCHWED-5783 silence the warnings
guard against nonsense results in ChainMapper.GetRepr()
code cleanup
change way of selecting interface residues in order to be consistent with DockQ
dockq refactor
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