Milestone 1.8

Completed 17 months ago (Jun 13, 2024, 7:00:00 AM)

100%

Total number of tickets: 24 - closed: 24 - active: 0

Build System

3 / 3

DICOM

8 / 8

Documentation

1 / 1

Infrastructure

1 / 1

Input/Output

3 / 3

Platform

2 / 2

Sequence

1 / 1

Sessions

1 / 1

Tool Shed

1 / 1

UI

1 / 1

Window Toolkit

2 / 2

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.
Note: See TracRoadmap for help on using the roadmap.