From 71d98717527a7dec15442955bc09f1d41470b12b Mon Sep 17 00:00:00 2001 From: Emma Schymanski Date: Thu, 23 Jul 2020 12:21:11 +0200 Subject: [PATCH] Update Dockerfile Updated MetFrag files to remove bad elements causing formula errors. Tested with MetFragCL and should work. Issues posted: see #47 and #46 --- Dockerfile | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Dockerfile b/Dockerfile index 6250f04f..1484f91d 100644 --- 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\