choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home
MIT License
6 stars 3 forks source link

Name downloadable PDB,SDF files for individual RUNs for the corresponding RUN #117

Open jchodera opened 3 years ago

jchodera commented 3 years ago

When we make downloadable protein and ligand PDB/SDF files available for a transformation, we should not use the generic new_{protein|ligand}.{pdb|sdf}, but instead use something like run-#####-{ligand|protein}.{pdb,sdf}