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Separate Intrachain Go from Interchain Go #16

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Lp0lp opened this issue Sep 25, 2023 · 1 comment
Open

Separate Intrachain Go from Interchain Go #16

Lp0lp opened this issue Sep 25, 2023 · 1 comment

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@Lp0lp
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Lp0lp commented Sep 25, 2023

Could separate the two go networks, and then let the user decide whether they want intra, inter, or both go networks applied. (Idea by Paulo.)

@sebtha
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sebtha commented Sep 26, 2023

This could be a nice feature which might help to get more flexibility between chains and/or domains.

Practically, we could simply rely on the information provided in the CG.pdb file, to get the chains separated, which is available in columns 4 and 8 of the contact map tables.

But in my opinion, it would be much more powerful if one can supply the domains via a flag. Following this idea, similar to the --idp_start and --idp_end options, several residue ranges could be defined. The Go-model would then be separated between these domains and their strengths could be tuned independently.

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