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Flexible hydrated docking #275

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moabe84 opened this issue Feb 8, 2024 · 1 comment
Open

Flexible hydrated docking #275

moabe84 opened this issue Feb 8, 2024 · 1 comment
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User Requests

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@moabe84
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moabe84 commented Feb 8, 2024

Hi everyone,
I'm wondering if it's possible to run flexible hydrated docking. I've been able to run them separately, but no success so far to do it together. Any suggestions/comments are greatly appreciated. Thanks.

Best,
Mostafa
@rwxayheee rwxayheee added this to the User Requests milestone Jan 11, 2025
@rwxayheee
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Added to User Requests. It might require some work and the flexible residues need to be prepared hydrated, too. I don't have a very specific plan on how to implement that, but I feel this could be a useful feature.

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@moabe84 @rwxayheee