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wrong(?) linked-groups pdbx_entity_branch_link:chem_comp_atom:1,2 #54

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wojdyr opened this issue Jul 14, 2023 · 0 comments
Open

wrong(?) linked-groups pdbx_entity_branch_link:chem_comp_atom:1,2 #54

wojdyr opened this issue Jul 14, 2023 · 0 comments

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@wojdyr
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wojdyr commented Jul 14, 2023

This pdbx_item_linked_group (pdbx_entity_branch_link 1 pdbx_entity_branch_link:chem_comp_atom:1):

pdbx_entity_branch_link 1 pdbx_entity_branch_link:chem_comp_atom:1 . .

has relations with parents in two different categories: chem_comp_atom and pdbx_entity_branch_list:

# Hand crafted - keep 1 and 2 separate
pdbx_entity_branch_link 1 '_pdbx_entity_branch_link.atom_id_1' '_chem_comp_atom.atom_id' chem_comp_atom
pdbx_entity_branch_link 1 '_pdbx_entity_branch_link.entity_branch_list_num_1' '_pdbx_entity_branch_list.num' pdbx_entity_branch_list
pdbx_entity_branch_link 1 '_pdbx_entity_branch_link.leaving_atom_id_1' '_chem_comp_atom.atom_id' chem_comp_atom
pdbx_entity_branch_link 1 '_pdbx_entity_branch_link.entity_id' '_pdbx_entity_branch_list.entity_id' pdbx_entity_branch_list

The same with the next linked group: pdbx_entity_branch_link:chem_comp_atom:2.

It looks wrong – in general these relationships have one child category and one parent category.
Is it a mistake?

wojdyr added a commit to project-gemmi/gemmi that referenced this issue Jul 14, 2023
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