The Gateway package provides functionality to act as a bridge between BioSimSpace and the outside world. It allows the user to define robust and portable workflow components (nodes) that can be run from a variety of environments, e.g. within Jupyter, or from the command-line.


Node(description[, name]) A class for interfacing with BioSimSpace nodes.

Requirement types

Boolean([help, default]) A boolean requirement.
Integer([help, default, minimum, maximum, …]) An integer requirement.
Float([help, default, minimum, maximum, allowed]) A floating point requirement.
String([help, default, allowed]) A string requirement.
File([help, optional]) A file requirement.
FileSet([help, optional]) A file requirement.
Length([help, default, unit, minimum, …]) A length requirement.
Area([help, default, unit, minimum, …]) An area requirement.
Volume([help, default, unit, minimum, …]) A volume requirement.
Charge([help, default, unit, minimum, …]) A charge requirement.
Energy([help, default, unit, minimum, …]) An energy requirement.
Pressure([help, default, unit, minimum, …]) A pressure requirement.
Temperature([help, default, unit, minimum, …]) A temperature requirement.
Time([help, default, unit, minimum, …]) A time requirement.