BioSimSpace.Node

The Node package contains tools for running BioSimSpace nodes.

Functions

help(name)

Print the help message for the named node.

list()

Return a list of the available nodes.

run(name[, args])

Run a node.

Examples

Print the list of available nodes.

import BioSimSpace as BSS

print(BSS.Node.list())

Get help on the “minimisation” node.

import BioSimSpace as BSS

BSS.Node.help("minimisation")

Run the minimisation node.

import BioSimSpace as BSS

# Generate a dictionary of input arguments.
input = {"steps" : 1000, "files" : ["amber/ala/ala.top", "amber/ala/ala.crd"]}

# Run the node and get the output as a dictionary.
output = BSS.Node.run("minimisation", input)
BioSimSpace.Node.help(name)

Print the help message for the named node.

Parameters

name (str) – The name of the node.

BioSimSpace.Node.list()

Return a list of the available nodes.

BioSimSpace.Node.run(name, args={})

Run a node.

Parameters
  • name (str) – The name of the node.

  • args (dict) – A dictionary of arguments to be passed to the node.

Returns

output – A dictionary containing the output of the node.

Return type

dict