Update em example - Githubissues

ExcitedStates / qfit-3.0

qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.

MIT License

30 stars 11 forks source link

Update em example #430

Closed stephaniewankowicz closed 1 month ago

stephaniewankowicz commented 1 month ago

Pull Request Checklist

[X] Will your PR merge into the dev branch?
Exceptions will be made for urgent bugfixes.
[X] Have you forked from dev?
If not, please rebase your PR onto the most recent dev tip.
[X] Does your PR title succinctly describe the changes?
Explain to a new user by completing the sentence: 'This PR will: ...'
[X] Fill out the template below.

Description of the Change

The existing EM example had a weird map & the map/model were not aligned. Leading horrible fitting by qFit!

This PR is to update these files and the output multiconformer model.

1) phenix.auto_sharpen emd_11638.map resolution=1.22

Phenix.auto_sharpen can not be run on map_box maps.

2) phenix.map_box 7A4M.pdb sharpened_map.ccp4 selection='chain A'