ms_create_molecule
Create a standalone molecule/crystal document by defining atoms and bonds, outputting an .xsd file. Specify elements, coordinates, and bond orders to build a structure.
Instructions
Create a standalone molecule/crystal document from explicit atoms and bonds using MaterialsScript. For the already-open GUI project, prefer ms_gui_create_current to avoid duplicate GUI documents.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| atoms | Yes | ||
| bonds | No | ||
| project | No | ||
| documentName | Yes |