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Description of the Change
First change was to parallelize the ligand sampling code. All sampling functions now run simultaneously. Second change was adding a --cryo_em option to qfit_ligand.py arguments.
Release Notes
Parallelize the ligand sampling and add cryo em option to qfit_ligand.py
Pull Request Checklist
dev
branch?Exceptions will be made for urgent bugfixes.
dev
?If not, please rebase your PR onto the most recent
dev
tip.Explain to a new user by completing the sentence: 'This PR will: ...'
Description of the Change
First change was to parallelize the ligand sampling code. All sampling functions now run simultaneously. Second change was adding a --cryo_em option to qfit_ligand.py arguments.
Release Notes
Parallelize the ligand sampling and add cryo em option to qfit_ligand.py