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Forced ring closure for proline residues
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@helenginn helenginn released this 21 Mar 17:31
· 861 commits to master since this release
v.0.1.2
a4abb1e

Features

  • Side chains are included in the RoPE space calculation, and displayed on axis explorer (but not part of the legend).
  • Prolines are now forced to close properly. If you have ’naughty prolines’ from a previous version which did not force ring closure, you will be prompted to refine your structures.
  • Using the “refine all” function in Entity (rather than the run-through via “rope space”) will refine more thoroughly than before. This will use a more intensive refinement protocol following the initial quick refinement. This can drop the target function by over 10% and tighten the SVD axis calculations. This is also the default for individual model refinement.
  • [Desktop app only] No need to restart the program in order to load in your own files: simply go to the FileView and click the ‘refresh’ button, which will sync with the local directory. Warnings will be given before PDB files which have been deleted, but are still referenced in a model.

Bug fixes/minor points

  • Fixed where viewing global metadata would cause RoPE to crash soon after.
  • Fixed where viewing files would only show a subset of files after viewing a PDB.
  • Small bug fixes and improvements throughout the code.
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