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feat: SCHWED-5540 enable global chain mapping optionally
A global chain mapping can now be enabled with --global-chain-mapping as a complement to the existing local chain mapping. This can be evaluated for the scoring paper.
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- actions/ost-compare-ligand-structures 9 additions, 0 deletionsactions/ost-compare-ligand-structures
- modules/mol/alg/pymod/ligand_scoring.py 18 additions, 4 deletionsmodules/mol/alg/pymod/ligand_scoring.py
- modules/mol/alg/tests/test_ligand_scoring.py 20 additions, 0 deletionsmodules/mol/alg/tests/test_ligand_scoring.py
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