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TaskOperations with AntibodyDesignMover

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TaskOperations with AntibodyDesignMover

Hello all,

I am keen on creating a custom Antibody design protocol for a problem.

On intending to use the AntibodyDesignMover, I'm unclear how one can pass the rich set of antibody design-specific TaskOperations to the AntibodyDesignMover.

One solution I can come up with is using a separate mover, such as FastDesign or PackRotamers, to which I can easily specify all my TaskOperations.

This counter-intuitively defeats the purpose of using the AntibodyDesignMover as I will have to use separate movers for grafting, docking (yes, I'm keen on docking with siteconstraints) and then design; all interspersed by several Metropolis evaluations after each mover. All of this will require a longer endeavour from my end.

I am interested to know if there is a more innovative solution to this problem.

Feel free to ask for more details or information.




Post Situation: 
Sun, 2023-04-23 23:52