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Metal-organic frameworks are promising novel materials for gas storage and separations because of their extremely high internal surface area and their modular structures based on metal nodes and organic linker molecules. Due to their modular design, it is possible to finely tune a structure for optimal storage of a specific gas but it is costly and time consuming to synthesize thousands of materials for experimental testing. Therefore it is beneficial to screen potential structures using high throughput computing and then create only the most promising materials for more thorough experimentation. The goal of this project is to create and test a software package - PorousMaterials.jl - for simulation of gas adsorption in metal-organic frameworks and other nano-porous materials. As the scope of research became broader, so did the functionality of PorousMaterials.jl. First, it was extended to allow for tracking and visualization of adsorbates within the crystal structure. Second, options for inferring and examining bonds were implemented. This culminated in a free and open source software package that provides a wide range of analysis for metal-organic frameworks and other nano-porous materials.