Allow for multiple-chain graphs #547

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Allow for multiple-chain graphs#547

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blockingThis issue blocks the othersThis issue blocks the othersdiscDiscussion needed, to better define the task/sDiscussion needed, to better define the task/sstaleissue not touched from too much timeissue not touched from too much time

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M1.3: Multiple-chains

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gcroci2

opened on Jan 15, 2024

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• Atom level + residue/bases level
• get_contact_atoms in pdb2sql has already an allchains parameter.
• Do we want to indicate which chains should be considered for the interface? Or should we just use get_contact_atoms as it is? (All interfaces according to a cutoff distance will be selected).
• What happens when there are overlaps?
• Should they work with any combination of interactions? (i.e., not only proteins' interactions; verify if there is there any interesting use cases for this - maybe not)

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blockingThis issue blocks the othersThis issue blocks the othersdiscDiscussion needed, to better define the task/sDiscussion needed, to better define the task/sstaleissue not touched from too much timeissue not touched from too much time

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SSP: Diversifying molecule coverage

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• M1.3: Multiple-chainsNo due date

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