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Is it impossible to use the ddg_monomer function on a non-monomeric structure?

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Is it impossible to use the ddg_monomer function on a non-monomeric structure?
#1

Hi,

I have been working on finding the most stable form of a tetrameric structure with 4 idenitical chains. I tried the ddg_monomer module. I could not get it to work using the original strucutre, but got it to work when I tried it with a single chain. Is there no way to get it to work with a tetramer? I have found an alternative using pmutscan to look for stabilizng mutations, but I would rather use ddg if possible. I was considering using ddg_monomer on a single chain and then just docking 4 of those mutated chains using rosetta_docking, but I don't know if that will take into account any interactions between reisudes in the tetramer structue that would not be accounted for when mutating only a single chain.

Much appreciated,

Wexte300

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Sat, 2024-05-25 14:16
Wexter300

I don't believe there should be any issue with treating a multi-chain structure with the "ddg_monomer" applications -- the "monomer" appellation here mainly refers to the fact that this is not an interface/binding ddg calculation, and is instead a stability calculation.

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Thu, 2024-06-20 13:24
rmoretti