diff --git a/README.md b/README.md index 712167f..f146765 100644 --- a/README.md +++ b/README.md @@ -19,8 +19,15 @@ python motif_annotation/annotate_motifs.py -i 0.05 191 gnps/gnps.db gnps/spectra mkdir massbank cp -r [path]/spectra_massbank massbank -python motif_annotation/annotate_motifs.py -i 0.001 190 massbank/massbank.db massbank/spectra_massbank/ >massbank/annotation.json +python motif_annotation/annotate_motifs.py -i 0.001 190 massbank/massbank.db massbank/spectra_massbank/ +>massbank/annotation.json ``` +Or run using Docker: +``` +sudo docker run -v $PWD/massbank:/data annotate_docs -i 0.001 190 data/massbank.db data/spectra_massbank/ +>massbank/magma_annotation.json +``` + # Run create_html_view.py ``` wget https://web.chemdoodle.com/downloads/ChemDoodleWeb-8.0.0.zip