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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
HBAT(Hydrogen Bond Analysis Tool) is a tool to automate the analysis of hydrogen bonds present in a PDB Structure file. HBAT 2 is migrated from PERL to Python.
Latest Documentation: https://hbat.abhishek-tiwari.com/
Web Server Version: http://hbat-web.abhishek-tiwari.com
Latest Github Release: http://github.com/abhishektiwari/hbat
Citation: Tiwari, A., & Panigrahi, S. K. (2007). HBAT: A Complete Package for Analysing Strong and Weak Hydrogen Bonds in Macromolecular Crystal...
'isotope' is a small command-line utility to calculate the isotope pattern for a given chemical formula. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.
hr ("High Resolution") is a small command-line utility to calculate possible elemental compositions for a given mass. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.
Pocomos is a cloud-based field service solution that caters to businesses
Built for the pest control industry, but also works great for Mosquito Control, Bin Cleaning, Window Washing, Solar Panel Cleaning, and other Home Service Businesses in need of an easy-to-use software that helps you simplify routing, scheduling, communications, payment processing, truck tracking, time tracking, and reporting.
Vibeplot presents a new and attractive way to visualize vibrational analysis from density functional calculations (DFT). It is especially targeted at the chemists. The interface can either be scripted or used interactively with QVibeplot.