Closed mikemhenry closed 6 days ago
@mikemhenry please do ping me when it's ready to review!
@IAlibay ready for review!
@IAlibay ready for re-review! I think the section is more clear, I also added a link to testing the installation at the end of each section. I also made the or bold to make it clear if you create an env with a lock file, you don't need to also use the single file installer.
Input submission checklist
input_structures/prepared_structures/<set_name>/<system_name>
For each submitted directory:
PREPARATION_DETAILS.md
fileprotein.pdb
cofactors.sdf
ligands.sdf
and removed any duplicate binding modes or protonation states, keeping the more favorable stateSummary of changes
Licensing agreement