GlobalChem RNA
GlobalChem has the concept of a RNA into a 1-Dimensional format that can be used later on for rna-smiles to rna-ligand interaction of lexical strings. This way we can perhaps make casual inference between sets of ligands and sets of rna or proteins later on.
Import the Package
from global_chem_extensions import GlobalChemExtensions
bioinformatics = GlobalChemExtensions().bioinformatics()Initialize a RNA Object
rna_molecule = bioinformatics.initialize_globalchem_rna(
peptide_sequence='UUUGGGGAGGGUG',
)Convert to SMILES
rna_molecule.convert_to_smiles()
Nc1nc2nc(C3CC(OP(=O)([O-])OCC4OC(c5c[nH]c(=O)[nH]c5=O)CC4OP(=O)([O-])OCC4OC(c5nc6nc(N)[nH]c(=O)c6[nH]5)CC4OP(=O)([O-])OCC4OC(c5c[nH]c(=O)[nH]c5=O)CC4OP(=O)([O-])OCC4OC(c5nc6nc(N)[nH]c(=O)c6[nH]5)CC4OP(=O)([O-])OCC4OC(c5c[nH]c(=O)[nH]c5=O)CC4OP(=O)([O-])OCC4OC(c5nc6nc(N)[nH]c(=O)c6[nH]5)CC4OP(=O)([O-])OCC4OC(c5c[nH]c(=O)[nH]c5=O)CC4OP(=O)([O-])OCC4OC(c5nc6ncnc(N)c6[nH]5)CC4OP(=O)([O-])OCC4OC(c5nc6ncnc(N)c6[nH]5)CC4OP(=O)([O-])OCC4OC(c5nc6ncnc(N)c6[nH]5)CC4OP(=O)([O-])OCC4OC(c5nc6ncnc(N)c6[nH]5)CC4OP(=O)([O-])[O-])C(COP(=O)([O-])OC4CCOC4CO)O3)[nH]c2c(=O)[nH]1Convert to SMARTS
rna_molecule.convert_to_smarts()
[#7]-[#6]1:[#7]:[#6]2:[#7]:[#6](-[#6]3-[#6]-[#6](-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#6]:[#7H]:[#6](=[#8]):[#7H]:[#6]:5=[#8])-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#7]:[#6]6:[#7]:[#6](-[#7]):[#7H]:[#6](=[#8]):[#6]:6:[#7H]:5)-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#6]:[#7H]:[#6](=[#8]):[#7H]:[#6]:5=[#8])-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#7]:[#6]6:[#7]:[#6](-[#7]):[#7H]:[#6](=[#8]):[#6]:6:[#7H]:5)-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#6]:[#7H]:[#6](=[#8]):[#7H]:[#6]:5=[#8])-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#7]:[#6]6:[#7]:[#6](-[#7]):[#7H]:[#6](=[#8]):[#6]:6:[#7H]:5)-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#6]:[#7H]:[#6](=[#8]):[#7H]:[#6]:5=[#8])-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#7]:[#6]6:[#7]:[#6]:[#7]:[#6](-[#7]):[#6]:6:[#7H]:5)-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#7]:[#6]6:[#7]:[#6]:[#7]:[#6](-[#7]):[#6]:6:[#7H]:5)-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#7]:[#6]6:[#7]:[#6]:[#7]:[#6](-[#7]):[#6]:6:[#7H]:5)-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]-[#6]4-[#8]-[#6](-[#6]5:[#7]:[#6]6:[#7]:[#6]:[#7]:[#6](-[#7]):[#6]:6:[#7H]:5)-[#6]-[#6]-4-[#8]-[#15](=[#8])(-[#8-])-[#8-])-[#6](-[#6]-[#8]-[#15](=[#8])(-[#8-])-[#8]-[#6]4-[#6]-[#6]-[#8]-[#6]-4-[#6]-[#8])-[#8]-3):[#7H]:[#6]:2:[#6](=[#8]):[#7H]:1
Visualize the RNA Strand
rna_molecule.visualize_strand()
Visualize and Label the RNA Strand
rna_molecule.label_feature(
start=0,
end=3,
label='Start'
)
rna_molecule.label_feature(
start=4,
end=8,
label='Middle'
)
dna_molecule.label_feature(
start=4,
end=8,
label='Middle 2',
color='Blue'
)
dna_molecule.label_feature(
start=8,
end=12,
label='End',
color='Green'
)
dna_molecule.visualize_strand()
Save the RNA Image to a file
rna.save_to_image()Last updated