Test new graph cluster conformer site formation approach

xchem · Jan 30, 2024 · d3f81f9 · d3f81f9
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diff --git a/...ng/Mpro-IBM0045/Refine_0017/refine_16.pdb → ...fine_0017/refine_16.split.bound-state.pdb b/...ng/Mpro-IBM0045/Refine_0017/refine_16.pdb → ...fine_0017/refine_16.split.bound-state.pdb
diff --git a/...ing/Mpro-IBM0058/Refine_0007/refine_7.pdb → ...efine_0007/refine_7.split.bound-state.pdb b/...ing/Mpro-IBM0058/Refine_0007/refine_7.pdb → ...efine_0007/refine_7.split.bound-state.pdb
diff --git a/...ing/Mpro-IBM0078/Refine_0006/refine_6.pdb → ...efine_0006/refine_6.split.bound-state.pdb b/...ing/Mpro-IBM0078/Refine_0006/refine_6.pdb → ...efine_0006/refine_6.split.bound-state.pdb