MIGRATED TO https://github.com/softnanolab/drawNA on 15/10/20
origamiUROP
Autonomous generation of DNA Origami nanostructures
origamiUROP
is a Python Library which can currently be used for generating a system comprised of ssDNA/dsDNA strands. Using a set of vertices, lines (edges) are generated which act as centrelines for single/double strands of DNA. It is modelled using the oxDNA model and can be exported in this format.
The end goal of the package is to autonomously generate many possible DNA origami scaffold configurations and subsequently their complimentary staple strands for a given 2D shape.
.STL
and .PLY
file formatsAt the time of writing it is only possible to manually install the package. This requires the following prerequisites:
To install, run the following commands:
git clone https://github.com/shanilpanara/origamiUROP
cd origamiUROP
pip install .
And to test:
pytest
We can create an Edge
object which will act as the centreline ssDNA/dsDNA. Then by creating and adding DNA strands to a system, it allows us to write out a file in an oxDNA format.
from origamiUROP.oxdna import Strand, System
from origamiUROP.polygons import Edge
import numpy as np
# Create two `Edge` objects, with a length of 6.5 and 14 units, respectively
edge_1 = Edge(np.array([-5.5, 0.0, 0.0]), np.array([1.0, 0.0, 0]))
edge_2 = Edge(np.array([1.0, 0.0, 0.0]), np.array([15.0, 0.0, 0.0]))
# Create a single stranded DNA object with 6 nucleotides (rounded down from length of Edge)
# a random sequence will be assigned
strand_ssDNA = edge_1.strand()
# Create a double stranded DNA object with 14 base pairs and assign a sequence for one
# of the strands (a complementary sequence will be assigned to the second strand)
strand_dsDNA = edge_2.strand(double=True, sequence="CCAAGGTTCAGTCA")
print("ssDNA: ", strand_ssDNA[0], "\ndsDNA: ", strand_dsDNA[0], strand_dsDNA[1])
# Create system, add strands and write oxDNA files
system = System(np.array([20.0, 20.0, 20.0]))
strands_to_add = strand_ssDNA + strand_dsDNA
system.add_strands(strands_to_add)
# Creates 2 files -> oxdna.out.top & oxdna.out.conf
system.write_oxDNA('out')
# View pandas dataframe
system.dataframe
System
can be visualised using Ovito