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Update DODO version (#165)
* Update DODO version
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executor-docking/Dockerfile

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@@ -84,7 +84,7 @@ RUN sed -i 's/^ parser = MMCIFParser(filename, modelsAs=modelsAs)$/
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# Install dodo (docking in docker)
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# https://github.com/kiarka7/DODO
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RUN wget -q https://raw.githubusercontent.com/kiarka7/DODO/e297f7209c50fa564a25e306085a92f079f1e5ad/run_docking.py -O /opt/executor-docking/run_docking.py
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RUN wget -q https://raw.githubusercontent.com/kiarka7/DODO/5de5fa13b262dafe7e3e49160994a1b1b5f31bfd/run_docking.py -O /opt/executor-docking/run_docking.py
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COPY --chown=user:user ./executor-docking/requirements.txt ./
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RUN pip3 install -r requirements.txt

executor-docking/requirements.txt

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@@ -2,3 +2,4 @@ requests==2.31.0
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eventlet==0.33.3
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celery==5.3.4
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biopython==1.82
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rdkit==2024.9.6

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