Commit 9a7c9834 authored by Jacob Durrant's avatar Jacob Durrant

Added citation.

parent 2b4cfb18
......@@ -10,6 +10,15 @@ open-source program for enumerating small-molecule ionization states.
Users can provide SMILES strings from the command line or via an .smi file.
Citation
--------
If you use Dimorphite-DL in your research, please cite:
Ropp PJ, Kaminsky JC, Yablonski S, Durrant JD (2019) Dimorphite-DL: An
open-source program for enumerating the ionization states of drug-like small
molecules. J Cheminform 11:14. doi:10.1186/s13321-019-0336-9.
Licensing
---------
......
......@@ -33,6 +33,12 @@ except ImportError:
# Always let the user know a help file is available.
print("\nFor help, use: python dimorphite_dl.py --help")
# And always report citation information.
print("\nIf you use Dimorphite-DL in your research, please cite:")
print("Ropp PJ, Kaminsky JC, Yablonski S, Durrant JD (2019) Dimorphite-DL: An")
print("open-source program for enumerating the ionization states of drug-like small")
print("molecules. J Cheminform 11:14. doi:10.1186/s13321-019-0336-9.\n")
try:
import rdkit
from rdkit import Chem
......
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