diff --git a/docker/Dockerfile b/docker/Dockerfile index 996b7fc8b87adb21b37c209ef48d267706d469c0..e7db46f9a9629035a989be788aa96607b331f977 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -129,7 +129,7 @@ RUN cmake .. -DPYTHON_LIBRARIES=/usr/lib/x86_64-linux-gnu/libpython2.7.so \ # get the compound library RUN wget ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif.gz -RUN stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb && stage/bin/chemdict_tool update modules/conop/data/charmm.cif compounds.chemlib charmm +RUN stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb && stage/bin/chemdict_tool update ../modules/conop/data/charmm.cif compounds.chemlib charmm RUN mkdir -p $OPENSTRUCTURE_SHARE && chmod a+rw -R $OPENSTRUCTURE_SHARE && mv compounds.chemlib $OPENSTRUCTURE_SHARE # Build and install OST diff --git a/singularity/Singularity.1.8.0 b/singularity/Singularity.1.8.0 index fcc150b6ee89538b393b7248659cde761c8c25e2..cf3e3813f5a36ceb0b17e46ffcdd6d1159d27c12 100644 --- a/singularity/Singularity.1.8.0 +++ b/singularity/Singularity.1.8.0 @@ -148,7 +148,7 @@ if [ ! -f openstructure-${OPENSTRUCTURE_VERSION}.tar.gz ]; then # get the compound library wget ftp://ftp.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 update ../modules/conop/data/charmm.cif compounds.chemlib charmm mkdir -p $OPENSTRUCTURE_SHARE chmod a+rw -R $OPENSTRUCTURE_SHARE mv compounds.chemlib $OPENSTRUCTURE_SHARE