If you’ve ever tried to do anything with data provided to you in PDFs, you know how painful it is — there’s no easy way to copy-and-paste rows of data out of PDF files. Today we discovered a great open source tool called Tabula that allows you to extract that data into a CSV spreadsheet using a simple, easy-to-use interface. Tabula works on Mac, Windows and Linux.
molPX is an Ipython module that provides, within a Jupyter notebook, interactive molecular visualization of virtually any type of coordinate that a molecular dynamics (MD) trajectory has been projected to. From the more intuitive coordinates, such as distances, contacts, angles etc, to the less intuitive projections such as principal components (PCs), time-independent components (TICs) or any collective variable or order parameter that was used to analyze the MD data.
molPX interactively connects a visual representation of the molecule (via NGLview ) to other types of graphs such as: