The utils module

This module contains some utility functions/classes that are directly written in Python. Every object described here is contained in the same module and can be accessed as oxpy.utils.object.

generate_default_input

Build and return a minimal input file

Kelvin_to_oxDNA

Convert the temperature given in Kelvin to oxDNA simulation units

Celsius_to_oxDNA

Convert the temperature given in Celsius to oxDNA simulation units

oxpy.utils.generate_default_input(options=[])

Build and return a minimal input file

The returned input file contains the minimum amount of options required to start a simulation. You can list them by printing the input file after generation:

my_input = oxpy.utils.generate_default_input()
print(my_input)
Returns:

An input file object that can be used to set up an oxDNA simulation.

Return type:

InputFile

oxpy.utils.Kelvin_to_oxDNA(T)

Convert the temperature given in Kelvin to oxDNA simulation units

Parameters:

T (float) – The temperature (in degrees Kelvin) to be converted

Returns:

The temperature in oxDNA units

Return type:

float

oxpy.utils.Celsius_to_oxDNA(T)

Convert the temperature given in Celsius to oxDNA simulation units

Parameters:

T (float) – The temperature (in degrees Celsius) to be converted

Returns:

The temperature in oxDNA units

Return type:

float