CTcore

CTcore is a suite of precision tools for reading and ultimately writing the CTfile family of formats found throughout computational chemistry and cheminformatics. For details, see Reading CTfiles with CTcore.

CTfile Documentation

The CTfile format is documented as follows:

• CTFILE FORMATS 2020
• CHEMICAL REPRESENTATION 2020
• BIOVIA Enhanced Stereochemical Representation

Test Suite

Runt the test suite:

cargo t --all

Versions

CTcore is not yet stable. Patch versions never introduce breaking changes, but minor/major versions probably will.

License and Copyright

CTcore is distributed under the terms of the MIT License. see LICENSE and COPYRIGHT for details.