Hi,
I’m building a pipeline with AlphaFold.
In essence I want to avoid early calculated structures, by doing a lookup in a certain folder.
Step I would do:
- get sequence
- calculate checksum on sequence, and use that one as a name for the seq.
- calculate 3D structure using Alphafold.
- copy structure to a pdb folder. checksum.pdb as a name.
Next time I run a pipeline for Alphafold, I would first like that the component checks the pdb folder and sees whether a pdb structure for that checksum is already available. If it is, just copy it, otherwise start calculating.
Does this makes sense?