ms_gui_create_crystal_current
Creates or replaces the current GUI crystal structure from user-provided lattice parameters and atomic coordinates, enabling precise unit-cell construction when no reliable CIF import exists.
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 |