diff --git a/README.md b/README.md index e9124e4..2dda34a 100644 --- a/README.md +++ b/README.md @@ -21,3 +21,10 @@ represntations for chemistry, and to document those representations more formally than has been done in the past. [Chemical_JSON]: http://wiki.openchemistry.org/Chemical_JSON + +## Documentation + +Project documentation is available in the [docs directory](./docs). +This content is migrated from the archived Open Chemistry wiki and +serves as a centralized reference until a dedicated documentation +site is available. diff --git a/docs/overview.md b/docs/overview.md new file mode 100644 index 0000000..47d2c8c --- /dev/null +++ b/docs/overview.md @@ -0,0 +1,24 @@ +# ChemicalJSON + +## Purpose + +ChemicalJSON is a JSON-based format for representing chemical data +in a structured and machine-readable way. It is designed to support +storage, exchange, and processing of chemical information across +different tools and programming languages. + +## Basic Structure + +A ChemicalJSON document typically includes: + +- Metadata such as molecule name and formula +- Atomic information (elements, coordinates) +- Optional properties such as unit cells, energies, or orbitals + +The format is designed to be extensible, allowing new properties +to be added without breaking existing tools. + +## Examples + +See the [examples directory](../examples) for concrete examples of +ChemicalJSON files, including small molecules and periodic systems.