Precomputed ScanNet for all alphafold structures/PDB structure
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Hi,
very nice work indeed! Do you happen to have precomputed the ScanNet binding probabilities for all alphafold/PDB structures and is there perhaps a way to download all of them?
very many thanks, Andreas
Dear Andreas,
Thank you for your interest in ScanNet.
Unfortunately, we don't have precomputed values for all AlphaFold/PDB structures.
It is possible to run the network over a list of inputs. For instance,
python predict_bindingsites.py list_inputs.txt --noMSA
Where list_inputs.txt is a simple text file such as:
1brs_A
2p6b_AB
...
The .txt extension is mandatory. All the results will be stored in the prediction folder.
If you need to run it over a few hundreds of structures, this should work fine. Hope this will help you.
Jérôme
thank you!