PostEra

Is there a good way to download SMILES submission for docking and testing?

COVID COVID_submissions
#1

Are there any good way to download the submitted structures as I am currently copy-pasting the SMILES of the submitted structures to a text editor and creating a .smi file to be read by modelling program. Please let me know!

#2

Hi sorry, all of the SMILEs should be available here Updated list of all submissions . I update the file almost daily. Let me know if this helps!

#3

I wrote a function to do that: SMILES extract function in postera_smiles.py module.