Update Dockerfile

Updated MetFrag files to remove bad elements causing formula errors. Tested with MetFragCL and should work. Issues posted: see ipb-halle#47 and ipb-halle#46
schymane · Jul 23, 2020 · 71d9871 · 71d9871
1 parent 6ea6f6c
commit 71d9871
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/Dockerfile b/Dockerfile
@@ -26,8 +26,8 @@ RUN wget -q -O- https://msbi.ipb-halle.de/~sneumann/file_databases.tgz | tar -C
         wget -q https://zenodo.org/record/3547718/files/COCONUT4MetFrag.csv; \
         wget -q https://zenodo.org/record/3611238/files/PubChemLite_14Jan2020_tier0.csv; \
         wget -q https://zenodo.org/record/3611238/files/PubChemLite_14Jan2020_tier1.csv; \
-        wget -q https://zenodo.org/record/3956587/files/HBM4EU_CECscreen_MF_1Jul2020.csv; \
-        wget -q https://zenodo.org/record/3956587/files/HBM4EU_CECscreen_MF_1Jul2020_plusTPs.csv; \
+        wget -q https://zenodo.org/record/3957497/files/HBM4EU_CECscreen_MF_1Jul2020.csv; \
+        wget -q https://zenodo.org/record/3957497/files/HBM4EU_CECscreen_MF_1Jul2020_plusTPs.csv; \
         wget -q https://zenodo.org/record/3564602/files/BloodExposomeDB_03Dec2019.csv
 
 RUN printf '#!/bin/sh \n\