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Verified Commit b7e0bec6 authored by Xavier Robin's avatar Xavier Robin
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Skip reserved compounds in our compound library

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...@@ -55,7 +55,7 @@ RUN cd ${SRC_FOLDER} && \ ...@@ -55,7 +55,7 @@ RUN cd ${SRC_FOLDER} && \
-DENABLE_INFO=0 && \ -DENABLE_INFO=0 && \
make -j ${CPUS_FOR_MAKE} && \ make -j ${CPUS_FOR_MAKE} && \
wget https://files.wwpdb.org/pub/pdb/data/monomers/components.cif.gz && \ wget https://files.wwpdb.org/pub/pdb/data/monomers/components.cif.gz && \
stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb && stage/bin/chemdict_tool update ../modules/conop/data/charmm.cif compounds.chemlib charmm && \ stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb -i && stage/bin/chemdict_tool update ../modules/conop/data/charmm.cif compounds.chemlib charmm && \
cmake .. -DCOMPOUND_LIB=${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}/build/compounds.chemlib && \ cmake .. -DCOMPOUND_LIB=${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}/build/compounds.chemlib && \
make -j ${CPUS_FOR_MAKE} && make check && make install && \ make -j ${CPUS_FOR_MAKE} && make check && make install && \
rm ${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}.tar.gz && \ rm ${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}.tar.gz && \
......
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