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openstructure
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fix: SCHWED-5783 catch absence of ligands
Xavier Robin authored
Feb 6, 2023
Raise a ValueError upon initialization.
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e2e8a084
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e2e8a084
Feb 6, 2023
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CMakeLists.txt
__init__.py
chain_mapping.py
dockq.py
export_accessibility.cc
export_clash.cc
export_contact_overlap.cc
export_entity_to_density.cc
export_membrane.cc
export_molck.cc
export_non_standard.cc
export_sec_structure.cc
export_structure_analysis.cc
export_superpose_frames.cc
export_svd_superpose.cc
export_trajectory_analysis.cc
hbond.py
helix_kinks.py
lddt.py
ligand_scoring.py
qsscore.py
qsscoring.py
scoring.py
stereo_data.json
stereochemistry.py
structure_analysis.py
superpose.py
trajectory_analysis.py
views.py
wrap_mol_alg.cc
