diff --git a/docker/Dockerfile b/docker/Dockerfile index 832c594..faca822 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -15,7 +15,7 @@ RUN mamba install termcolor matplotlib seaborn pandas openbabel vina # Get workshop files and move them to jovyan directory. COPY --chown=1000:100 . . -RUN rm -rf chimerax_commands.cxc LICENSE README.md docking_with_rescoring docker .git .github +RUN rm -rf chimerax_commands.cxc LICENSE README.md docking_with_rescoring simple_docking docker .git .github # Copy lab workspace COPY --chown=1000:100 docker/default-37a8.jupyterlab-workspace /home/jovyan/.jupyter/lab/workspaces/default-37a8.jupyterlab-workspace diff --git a/docker/default-37a8.jupyterlab-workspace b/docker/default-37a8.jupyterlab-workspace index fc5ae4b..befa0f6 100644 --- a/docker/default-37a8.jupyterlab-workspace +++ b/docker/default-37a8.jupyterlab-workspace @@ -1 +1 @@ -{"data":{"layout-restorer:data":{"main":{"dock":{"type":"tab-area","currentIndex":0,"widgets":["notebook:simple_docking/MTH_Docking_Part1_Prepare_2.0.ipynb"]},"current":"notebook:simple_docking/MTH_Docking_Part1_Prepare_2.0.ipynb"},"left":{"collapsed":false,"current":"filebrowser","widgets":["filebrowser","running-sessions","@jupyterlab/toc:plugin","extensionmanager.main-view"]},"right":{"collapsed":true,"widgets":["jp-property-inspector"]}},"notebook:simple_docking/MTH_Docking_Part1_Prepare_2.0.ipynb":{"data":{"path":"simple_docking/MTH_Docking_Part1_Prepare_2.0.ipynb","factory":"Notebook"}}},"metadata":{"id":"default"}} +{"data":{"layout-restorer:data":{"main":{"dock":{"type":"tab-area","currentIndex":0,"widgets":["notebook:docking_mcl1/MTH_Docking_Part1_Prepare_2.0.ipynb"]},"current":"notebook:docking_mcl1/MTH_Docking_Part1_Prepare_2.0.ipynb"},"left":{"collapsed":false,"current":"filebrowser","widgets":["filebrowser","running-sessions","@jupyterlab/toc:plugin","extensionmanager.main-view"]},"right":{"collapsed":true,"widgets":["jp-property-inspector"]}},"notebook:docking_mcl1/MTH_Docking_Part1_Prepare_2.0.ipynb":{"data":{"path":"docking_mcl1/MTH_Docking_Part1_Prepare_2.0.ipynb","factory":"Notebook"}}},"metadata":{"id":"default"}}