API reference

The apbs command provides a command-line interface to APBS’s functionality. It is built on classes and functions in the apbs module. The API (application programming interface) of apbs is documented here for developers who might want to directly use the APBS code.

Note

The API is still changing and there is currently no guarantee that it will remain stable between minor releases.

Todo

Add API documentation for all new Python routines

Input file support

Todo

Eventually move this into the main documentation

APBS accepts either JSON- or YAML-format input files.

These input files consist of the following keywords and objects:

Todo

finish other required and optional sections

Input file class structure

The input file object parsing and validation follows the basic pattern implemented in apbs.input_file.InputFile (see below). This class should serve as a template for adding new input file sections.