From 2d0254d8b86565e2f93a06cb1443adfaecb89752 Mon Sep 17 00:00:00 2001 From: Emma Schymanski Date: Sat, 28 Sep 2024 20:22:30 +0200 Subject: [PATCH] 2024 version of CyanoMetDB! Thanks to Lilli Janssen (Eawag), we have the 2024 (annual update) of CyanoMetDB with hundreds of new entries - I have tested on MetFragCL and MetFrag Web and this should work fine. Thanks in advance @sneumann --- Dockerfile | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Dockerfile b/Dockerfile index 9e1d0bd..88d94d0 100644 --- a/Dockerfile +++ b/Dockerfile @@ -55,8 +55,6 @@ RUN cd /vol/file_databases && \ touch OntoChem_PFAS_Patents_20220420.csv && \ wget -q https://zenodo.org/records/6474542/files/OntoChem_PFAS_CORE_20220420.csv && \ touch OntoChem_PFAS_CORE_20220420.csv && \ - wget -q https://zenodo.org/records/7922070/files/CyanoMetDB_v02_2023_MetFrag.csv && \ - touch CyanoMetDB_v02_2023_MetFrag.csv && \ wget -q https://zenodo.org/records/5336447/files/COCONUT4MetFrag_april.csv && \ touch COCONUT4MetFrag_april.csv && \ wget -q https://zenodo.org/records/8144127/files/LIPIDMAPS_20230712.csv && \ @@ -65,6 +63,8 @@ RUN cd /vol/file_databases && \ touch PubChem_OECDPFAS_largerPFASparts_20240726.csv && \ wget -q https://zenodo.org/records/13148840/files/NPAtlas_2024_03.csv && \ touch NPAtlas_2024_03.csv && \ + wget -q https://zenodo.org/records/13854577/files/CyanoMetDB_V03_2024_MetFrag.csv && \ + touch CyanoMetDB_V03_2024_MetFrag.csv && \ wget -q https://zenodo.org/records/13641886/files/PubChemLite_CCSbase_20240830.csv && \ touch PubChemLite_CCSbase_20240830.csv && \ wget -q https://zenodo.org/records/13848602/files/PubChemLite_exposomics_20240927.csv && \