ms_gui_create_crystal_current
Builds a periodic crystal unit cell from lattice vectors and atom coordinates in the current GUI document. Used when no suitable CIF is available.
Instructions
Create or replace the current GUI document as a periodic crystal/unit cell from lattice parameters and atom coordinates. Before using this for a new crystal, first try ms_gui_find_cif_import_current against open CIF sources; use manual construction only when no reliable open CIF is found or the user provides credentials/API access for a restricted source. Do not add vacuum here unless the user explicitly requested vacuum in the initial cell parameters.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| a | Yes | Lattice length a in Angstrom. | |
| b | Yes | Lattice length b in Angstrom. | |
| c | Yes | Lattice length c in Angstrom. | |
| beta | No | ||
| alpha | No | ||
| atoms | Yes | Atoms in fractional or Cartesian coordinates depending on coordinateType. | |
| gamma | No | ||
| forceNew | No | ||
| exportFile | No | ||
| spaceGroup | No | P1 | |
| ballAndStick | No | ||
| documentName | Yes | ||
| calculateBonds | No | For periodic crystals this defaults to false to avoid incorrect cross-boundary bonding; use explicit bonding or a later targeted bond calculation when needed. | |
| coordinateType | No | fractional | |
| spaceGroupQualifier | No | ||
| useSpecialPositions | No | ||
| specialPositionTolerance | No |