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Search box size and coordinates #141

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RMeli opened this issue Dec 16, 2020 · 1 comment
Open

Search box size and coordinates #141

RMeli opened this issue Dec 16, 2020 · 1 comment
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[docking] related to the docking tutorial
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@RMeli
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RMeli commented Dec 16, 2020

The values for the search box size and coordinates are given in the section "Prepare the protein using AutoDockTools".

Since we did not use AutoDockTool this year, it could be beneficial to report such values on the section "Prepare a docking configuration file" as well.

@IAlibay IAlibay added the [docking] related to the docking tutorial label Dec 16, 2020
@IAlibay IAlibay added this to the December 2021 milestone Dec 16, 2020
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IAlibay commented Dec 16, 2020

Bring this from the team discussion: one proposed alternative here is to skip all this and use the binding pose of another bound ligand as an input for the grid center.

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