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ChimeraX 3decision Bundle - Distribution Guide

For ChimeraX Toolshed Distribution

This document describes how to prepare and distribute the ChimeraX 3decision bundle through official channels.

Bundle Preparation Checklist

  • Bundle structure follows official ChimeraX guidelines
  • bundle_info.xml contains complete metadata
  • license.txt file present
  • Documentation in src/docs/user/ structure
  • Makefile for standard build process
  • Official installation using devel install

Building for Distribution

  1. Clean build:

    make clean
make wheel

  2. Test locally:

    make install
make test

  3. Verify wheel:

    ls dist/ChimeraX_threedecision-*.whl

ChimeraX Toolshed Submission

  1. Visit ChimeraX Toolshed
  2. Sign in with Google account
  3. Submit bundle using "Submit a Bundle" link
  4. Upload wheel file from dist/ directory
  5. Fill metadata:
    • Description (from bundle_info.xml)
    • Screenshots of the interface
    • Installation instructions
    • Usage examples

Required Metadata for Toolshed

<BundleInfo name="ChimeraX-threedecision" 
            version="1.0.0" 
            package="chimerax.threedecision">
  <Author>3decision Team</Author>
  <Email>support@3decision.com</Email>
  <URL>https://www.3decision.com</URL>
  <Synopsis>ChimeraX plugin for Discngine 3decision molecular structure database</Synopsis>
  <Description>...</Description>
  <Categories>
    <Category name="Molecular Structure"/>
    <Category name="Database"/>
  </Categories>
</BundleInfo>

User Installation (After Toolshed Publication)

Users will be able to install using:

  1. ChimeraX Toolshed interface
  2. Command line: 
    toolshed install threedecision

Development vs Production

Development Installation:

  • Use devel install for local development
  • Changes require rebuild/reinstall

Production Installation:

  • Use toolshed install for end users
  • Automatic updates through toolshed
  • No build process required

Documentation Links

Bundle Files Structure

chimerax-plugin/
├── bundle_info.xml          # Bundle metadata (required)
├── license.txt             # License text (required)
├── setup.py               # Build configuration
├── Makefile              # Standard build targets
├── src/                  # Bundle source code
│   ├── __init__.py      # Bundle API implementation
│   ├── commands.py      # Command definitions
│   ├── gui.py          # Tool interface
│   ├── api_client.py   # 3decision API client
│   ├── settings.py     # Configuration dialog
│   └── docs/           # Help documentation
│       └── user/
│           ├── commands/
│           │   └── threedecision.html
│           └── tools/
│               └── threedecision.html
└── dist/                # Built wheels (generated)