bioclipse.scripting

ParseIUPACName.py

Source code

The source code may use or refer to content in a local workspace. This Bioclipse workspace used can be found on GitHub.

Bioclipse 2.6

mol = opsin.parseIUPACName(
  "Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-" +
  "{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-" +
  "1-methyl-3-oxododecahydronaphtho[2,3-c]furan-" +
  "6-yl]carbamate"
)
print(mol)

Bacting

To run this code, you first need to install Bacting (Groovy) or pyBacting (Python).

from pybacting import opsin

mol = opsin.parseIUPACName(
  "Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-" +
  "{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-" +
  "1-methyl-3-oxododecahydronaphtho[2,3-c]furan-" +
  "6-yl]carbamate"
)
print(mol)

Open in Google Colab

Output

CDKMolecule:C29H33FN2O4