Supported File Formats
The Bioclipse CDK plugin supports reading of the following file formats:
- Chemical Markup Language (CML)
- hin
- MDL molfile
- mol2
- XYZ
- PDB
and writing of these formats:
For the CML and MDL molfile formats, the following properties are supported:
- 2D coordinates
- 3D coordinates
- graph based connectivity
- fractional coordinates
- 2D diagram wedge bond information
- formal charges
- partial charges
- mass number
- isotope number
Other file formats may work too, and even well, but remain unsupported until
quality assurance testing has finished for those formats.