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About dock:How long does the preparation phase of adding gasteiger charges to peptide take? #200

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viko-3 opened this issue May 23, 2023 · 2 comments
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@viko-3
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viko-3 commented May 23, 2023

Thanks to the authors for their excellent work.

image

Is it normal to go on for a long time at this step?

@futianfan
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do you mean to download the oracle? download oracle does not take too much time. or do you mean docking a ligand? docking a ligand requires a couple of minutes mostly, the time also relies on the size of the ligand you dock.

@viko-3
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viko-3 commented May 23, 2023

do you mean to download the oracle? download oracle does not take too much time. or do you mean docking a ligand? docking a ligand requires a couple of minutes mostly, the time also relies on the size of the ligand you dock.

On the screenshot I provided, I'm just loading the oracal provided in the documentation for dock a ligand. but it still stuck at this step.
And, if I use my own protein pdb file to initialize the oracle, it still keep this situation.

@kexinhuang12345 kexinhuang12345 added the question Further information is requested label Jul 9, 2023
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