[X] Will your PR merge into the dev branch?
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Description of the Change
This change will create a grouped occupancy file based on residues that are grouped with qFit segment.
It breaks grouped occupancy when the CA has one conformation.
The occupancy parameter file is then used during the iterative refinement. It is not kept for final refinement.
The normalize occupancy script needs to be updated to reflect this grouped refinement and remove grouped residues with occupancies that fall below 0.1 (or something like that based on resolution).
Pull Request Checklist
devbranch?Exceptions will be made for urgent bugfixes.
dev?If not, please rebase your PR onto the most recent
devtip.Explain to a new user by completing the sentence: 'This PR will: ...'
Description of the Change
This change will create a grouped occupancy file based on residues that are grouped with qFit segment.
It breaks grouped occupancy when the CA has one conformation.
The occupancy parameter file is then used during the iterative refinement. It is not kept for final refinement.
The normalize occupancy script needs to be updated to reflect this grouped refinement and remove grouped residues with occupancies that fall below 0.1 (or something like that based on resolution).