Coordinates
Coordinate import/export
Known Formats
| Keyword | Import | Export | Description |
|---|---|---|---|
dlpoly |
✓ | ✓ | CONFIG or REVCON file written by DL_POLY. |
epsr |
✓ | Ato file written by EPSR. | |
moscito |
✓ | Structure file (*.str) written by the Moscito code. | |
xyz |
✓ | ✓ | XMol-style xyz coordinates. Line 1 contains the number of atoms N. Line 2 contains a title string. The next N lines contain “element rx ry rz”. |
Notes
Import
For all file formats only atomic coordinate information is generally used - i.e. species or connectivity information is not derived from the input.
Last modified April 23, 2024: Update release notes. (70ff745)