FeatureBuilt · in the lab
Structures and properties
Draw molecules, estimate properties.
Use this add-on:
Screenshots and a short video come with the listing (AL.3).
Overview
Structures and properties is a planned add-on for PartCraft (roadmap row CH.24). It is meant to let you draw a molecule or read one from a SMILES or MOL file, estimate its properties by group contribution, and send it to the process engine as a component. It is not built as an add-on: no command, panel or drawing editor works today.
Who it’s for
- Process and chemical engineers who need a component that is not in the built-in table (intended).
- Chemists who want formula, molar mass and estimated properties from a structure (intended).
What you can do
- Nothing works today: the add-on is planned. What is intended for row CH.24: structures (draw, SMILES and MOL in and out), properties and group-contribution estimates (Joback) that feed the process components.
Methods and standards
The planned add-on sits on the process engine (engine.process). The engine has lib/process/env/cheminfo.js: our own reader for the organic subset of SMILES, formula and molar mass, MOL V2000 in and out, an SVG drawing, Joback group contributions for the groups typed in the code, and a function that makes a process component from the result, labeled as estimated. The plan names RDKit MinimalLib (BSD) as an on-demand add-on for stereo and canonical SMILES; it is not bundled.
Data and sources
Planned: no data ships. The Joback group values and atomic weights typed in the engine are listed in the session log as still to be checked by a chemist.
Verification
Not yet checked as an add-on: planned, no add-on test exists. The engine behind it is covered by tools/process-test/test-env.mjs, which docs/0.8-sessions/chem-env_PART_3.md records as 206 passed, 0 failed on 2026-10-28, including hexane and benzene property checks and formulas and molar masses of water, ethanol, benzene, acetic acid and caffeine.
Limits
Planned and not built. In the engine, not built: the full RDKit job, stereo, canonical SMILES, a drawing editor, a drawing panel, and the Joback groups beyond the ones typed. Estimates are estimates, not measured values.
Files and formats
Reads and writes SMILES text and MOL V2000 in the engine; draws SVG. No app reads them yet.
Get started
- This add-on is planned (roadmap row CH.24). Nothing is installed or switched on today.
- Follow row CH.24 in /roadmap-issues for its status.
- Until then the structure module is a library only, with no command or panel in PartCraft.
Languages
No languages are listed for this add-on yet. Its maker may add some.
Works in
| Edition | Works | Note |
|---|---|---|
| Browser (/use) (yours) | Added on demand | Fetched the first time you use it, then kept for offline use. |
| Studio from getcadcraft.com | Added on demand | Fetched the first time you use it, then kept for offline use. |
| Microsoft Store | Added on demand | Fetched the first time you use it, then kept for offline use. |
| Google Play | Added on demand | Fetched the first time you use it, then kept for offline use. |
| iPad and iPhone (App Store) | Included; switch it on | Part of the reviewed app; your list switches it on. |
| Custom build | Added on demand | Fetched the first time you use it, then kept for offline use. |
Comes with
- Process engine 2.5 MB
Adding it brings these too. Engines are shared: each downloads once for every add-on that uses it.
Versions
| Version | Channel | Date | What changed |
|---|---|---|---|
| 1.0.0 | lab | October 31, 2026 | First version in the Library. |
Licence and maker
CadCraft (CadCraft, first-party). Licence: Apache-2.0. Dependencies carry their own licences, listed on their pages.