Presence of two PDBs for Thrombin

[IAlibay]

Adding this here so we can track progress.

There are two PDBs in the crd folder for thrombin (protein.pdb and thrombin_prepped.pdb), we need to work out which one needs keeping.

[IAlibay]

As a follow-up, do we actually want to keep thrombin? I was under the impression that the reason it was rejected from the set was down to a low dynamic range and small number of ligands, I can't seem to see how this has changed.

Pinging @jchodera here.

[bobym]

From the F@H interface meeting:

@jchodera recommended re-curation of thrombin ligand set to use the ligands with Ki data instead of ITC binding data to expand dynamic range.

I've re-prepped the system with the Ki assay conditions and docking the newly curated ligand set. Pushing with the most recent PR.