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How to generate structure 'database' #1

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danmaclean opened this issue Dec 1, 2022 · 3 comments
Open

How to generate structure 'database' #1

danmaclean opened this issue Dec 1, 2022 · 3 comments

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@danmaclean
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Hi

How is it possible to generate a structure database from my own protein structures in order to search with new proteins? I tried to generate new descriptors but it seems this is just for a proteins that already have the .pkl generated.

@chunqiux
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chunqiux commented Dec 12, 2022

Hi, our tool can be directly used for descriptor generation. The descriptors will be stored as pkl format. The inputs are the pdb files of your protein structures :)

@danmaclean
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Thanks. But what is the command for this? It certainly isn't clear to me from the guide.

@chunqiux
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image

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