Chemaxon will discontinue the support of selected file formats and file format dialects.

The affected formats and dialects

• Chemaxon compressed CTFile formats (csmol, csrdf, csrxn, cssdf)

• Tripos file formats (SYBYL Molfile, MOL2)

• XYZ

• Gaussian Cube

• Accord

• Chemaxon Dialect of MOL v2000 files (Position variation bond, multicenter atom, smarts query property, document related properties such as pages)

   

Deprecation schedule

Support for the above formats will be still available until and including the release of LTS version 26, called Silicon which is expected to release in 2026. The first frequent release in 2026 will be affected first by this change.

Reasons for retiring support for these formats

Chemaxon compressed CT File files

These were primarily developed to improve the user experience with the applet technology. Since the MarvinSketch applet has been retired, Chemaxon compressed CT Files were not really used anymore. As an alternative, CTFiles can be gzipped, even with the Chemaxon supported ":gzip" export modifier.

Tripos file formats (mol2 and SYBYL)

The implementation of these formats is incomplete and they are rarely used. Note: these are not to be confused  with MOL v2000 files, the support of which will remain unchanged.

XYZ files

XYZ files are rarely used with our software.

Gaussian Cube

Gaussian files are rarely used with our software, the information typically stored in these files cannot properly be utilized with Chemaxon technology.

Accord

Due to lack of user interest we decided not to replace it with a new implementation.

Chemaxon Extension of MOL v2000 files

This dialect has the ability to include officially unsupported features and information in MDL MOL v2000 files, however the exported files do not comply with Biovia’s CT File format specification and are hence considered invalid. The MOL v3000 standard is a better alternative to support these additional features in CT Files.