Do you keep downloading .pdb and .sdf files and loading them into PyMol repeatedly?
If yes, then PyMol remote might be just for you. With PyMol remote, you can control a PyMol session running on your laptop from any other machine. For example, from a Jupyter Notebook running on your HPC cluster.
Continue readingSuppose we need to do some interactive analysis in a Jupyter notebook, but our local machine lacks the power. We have access to a slurm cluster, but we can’t SSH from the head node to the worker node; we can only SSH from the worker node to the head node. Can we still interact with a Jupyter notebook running on the worker node? As it happens, the answer is “yes” – we just need to do some reverse SSH tunnelling.
Continue readingIf you’re working with data stored on a remote server, you might not want to (or even have the space to) copy data to your local file system when you work on it. Instead, we can use SSHFS to mount a remote file system via SSH, allowing us to read and write data on the remote file system without manually copying files.
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