Milestone 1.8
Depiction
- Select by attribute GUI - Render/Select by Attribute set to its Select tab can be opened from the Select menu
- Show attribute values with atomic radii - command size byattribute, Radii section in Render by Attribute
- Worms - create specialized cartoons in which "worm" fatness shows values of an attribute (bfactor, seq_conservation, ...) with Render by Attribute or commands worm or cartoon byattribute
- Label models - label command models option
- Model Panel capabilities for rapidly flipping through models - context menu allows adding Next/Previous/Skip controls
Analysis
- Join models generalized to any covalent bond - build join bond allows joining models in the general case (bonds other than peptide); this feature is also available in the Build Structure GUI
- Combine models without changing chain IDs - combine command option retainIds true
- Command to create pseudobonds - pbond command
- View multiple alternate locations at the same time - altlocs show command
- Surface-surface contact area - measure contactarea command to report the area of one surface within a cutoff distance of another surface
- Read PAE files from Alphafold3 - Alphafold Error Plot updated to handle PAE (predicted aligned error) output from Alphafold3
- Batch AlphaFold predictions - New commands to set up batch alphafold predictions to predict protein-protein interactions.
- Prototyped UMAP clustering of structure conformations, command diffplot
New file formats
- PDB-REDO fetch - fetch atomic structures from the PDB-REDO database using Fetch by ID or the open command
- Fetch/read PDB NMR-STAR format - NMR-STAR restraints can be shown as pseudobonds on associated structures (details...)
- View docking results from MOE - ViewDockX recognizes molecular docking results in Mol2 format from MOE
- Save tables as comma- or tab-separated values - various sortable-table dialogs now have a context menu option to Save CSV or TSV File... (e.g. Rotamers, Check Waters, Axes/Planes/Centroids table of objects)
Volume data
- Segmentations tool applies to any volume data - the Segmentations tool for manual plane-by-plane segmentation can be used on any type of volume data (previously only medical images)
- Updates to interactive segmentation - several fixes and usability improvements to the Segmentations tool, including new Medical Image Toolbar icons to easily assign/deassign associated mouse and VR hand-controller modes; implementation of some functions as a segmentations command
- Prototyped local orthoplane volume rendering enhancements for EM tomography, orthopick mouse mode in 1.9 daily build.
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