Implement interface-adaptive binding energy calculator
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@@ -40,9 +40,12 @@ RUN wget "https://raw.githubusercontent.com/YoshitakaMo/localcolabfold/5fc877511
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# Create directories for input/output with proper permissions
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RUN mkdir -p /data /results && chmod -R 777 /data /results
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RUN mkdir -p /opt/bioemu/scripts/
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COPY calculate_gibbs.py /opt/bioemu/scripts/
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COPY calculate_binding.py /opt/bioemu/scripts/
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RUN chmod +x /opt/bioemu/scripts/calculate_gibbs.py
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RUN chmod +x /opt/bioemu/scripts/calculate_binding.py
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CMD ["/bin/bash"]
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