Test new graph cluster conformer site formation approach

xchem · Jan 31, 2024 · 500f98e · 500f98e
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diff --git a/...ng/Mpro-IBM0045/Refine_0017/refine_16.mtz → ...ng/Mpro-IBM0045/Refine_0016/refine_16.mtz b/...ng/Mpro-IBM0045/Refine_0017/refine_16.mtz → ...ng/Mpro-IBM0045/Refine_0016/refine_16.mtz
diff --git a/...ng/Mpro-IBM0045/Refine_0017/refine_16.pdb → ...ng/Mpro-IBM0045/Refine_0016/refine_16.pdb b/...ng/Mpro-IBM0045/Refine_0017/refine_16.pdb → ...ng/Mpro-IBM0045/Refine_0016/refine_16.pdb
diff --git a/...-data/inputs_2/dls/labxchem/data/2020/lb27995-1/processing/database/soakDBDataFile.sqlite b/...-data/inputs_2/dls/labxchem/data/2020/lb27995-1/processing/database/soakDBDataFile.sqlite