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.
setNodeDirectory(dir)	Set the directory of the node library.

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)

Set a custom directory for the node library.

import BioSimSpace as BSS

BSS.Node.setNodeDirectory("/path/to/node/library")