Category: Tutorials
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Streamlining Page Extraction from PDFs: A Python Script
Handling multiple PDF files is a common task in academia. Whether it’s extracting specific pages for citation, bundling first pages of research papers for applications, or organizing research materials, a flexible tool can save valuable time. This blog post introduces a Python script that simplifies this task, providing flexibility to extract individual pages, comma-separated lists…
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Build Metallocage Structures: A Step-by-Step Guide with cgbind
Step 1: Install cgbind on Ubuntu To begin, you need to install cgbind on your Ubuntu machine. Open the terminal and execute the following command: This command clones the cgbind repository available at https://github.com/duartegroup/cgbind.git and installs cgbind along with the necessary dependencies. Step 2: Download the Metallocage Generation Script Next, download the generate_metallocage.py script from…
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How to Reorient Coordinates of a Molecule
Sometimes it is necessary to reorient the molecule to make its dipole moment or any other vector or certain bond of the molecule parallel to a certain Cartesian coordinate axis. The easiest way to orient a certain vector or bond of a molecule parallel to Cartesian coordinate axis is to use the commands provided by…