Milestone 1.5

Completed 3 years ago (Nov 29, 2022, 9:51:06 AM)

100%

Total number of tickets: 43 - closed: 43 - active: 0

Build System

4 / 4
Core

3 / 3
DICOM

6 / 6
Infrastructure

1 / 1
Input/Output

4 / 4
MD/Ensemble Analysis

1 / 1
Platform

5 / 5
Sequence

2 / 2
Sessions

2 / 2
Structure Analysis

1 / 1
Structure Comparison

1 / 1
Structure Prediction

1 / 1
Third Party

1 / 1
Tool Shed

7 / 7
Volume Data

1 / 1
Web Services

3 / 3

Released

  • November 29, 2022

Feature Freeze and Branch

  • October 3, 2022

New Features

  • Compute charges: A command to calculate and assign atomic partial charges and Amber/GAFF atom types
  • Dock prep: A tool to assist in the multistep preparation of structures for docking and other calculations: hydrogen and charge addition, removal of alternate atom locations, rotamer “repair” of incomplete side chains, etc. (#4794)
  • Axis / Planes / Centroids GUI (#7342)

Completed New Features

  • Update to latest AlphaFold Database, July 28, 2022 version has 200 million structures (formerly 1 million). #7346
  • AlphaFold 10 times faster prediction using ColabFold sequence server. #7260
  • Rename chain identifiers - command and GUI
  • pip install command.
  • AlphaFold error pseudobond display. #6621
  • Choose residue numbering for sequence alignments.
  • Renumber residues - command and GUI
  • Crosseye and walleye stereo. #5991
  • Scale, rotate and translate surfaces. #7018

Infrastructure

  • Native macOS build for ARM CPU, ticket #4663.
  • Universal Mac distribution (ARM + Intel), #7222.
  • Toolshed fixes and improvements (many tickets exist).
  • Modernized build and packaging.
  • Make mouse modes work with Manager/Provider so bundles don't need custom_init. Stretch goal.
Note: See TracRoadmap for help on using the roadmap.