Supported Files

Jump to bottom Edit New page

Jens Krumsieck edited this page Mar 2, 2021 · 1 revision

Currently the following files are supported for Import/Export:

Molecule
- Import
  - XYZ
  - CIF (crystallographic information file)
  - MOL2 (TRIPOS Mol2)
  - CDXML (Single Molecule only)
- Export
  - XYZ
  - MOL2
  - SVG
Spectroscopy
- Import
  - Varian/Agilient DSW
  - Bruker EMX SPC/PAR
  - Bruker TopSpin (fid, (1r/1i processed spectra), JCAMP-DX (acqus, procs, ...))
  - CSV
- Export
  - CSV

Getting Started

Supported Files