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Enhancement: Varying pH for predicting patches #68

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TommiAnna opened this issue Oct 2, 2023 · 0 comments
Open

Enhancement: Varying pH for predicting patches #68

TommiAnna opened this issue Oct 2, 2023 · 0 comments

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@TommiAnna
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Hello. Can the pH that the patches are rendered at / interactions predicted be varied? I am assuming that the patches are rendered at pH 7 and interactions predicted. Can you clarify this or guide if pH differences can be implemented? I am guessing PDB2PQR/APBS (https://www.poissonboltzmann.org/) could be a plugin prior to running the prediction? Thanks!
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@TommiAnna