DebyeCalculator is a tool for computing the solution scattering intensity from atomic models using Debye formula.

The program was developed and tested by Avi Ginsburg, Tal Ben-Nun, Roi Asor, Asaf Shemesh, Lea Fink, and Uri Raviv from the Institute of Chemistry at the Hebrew University of Jerusalem.

Debye formula applies for spherically symmetric scatterers, which is the case for atoms. The advantage  of the Debye approach is that orientation average is computed analytically hence the accuracy is better than any of the other methods, which numerically compute orientation average. DebyeCalculator runs on both CPU and GPU. The results of DebyeCalculator and D+ are similar when using sufficient integration iterations and grid density in D+.

DebyeCalculator is a command line executable program that is part of D+ software. To use DebyeCalculator, please install D+.  After D+ is installed, DebyeCalculator is located in C:\Program Files\D+\bin> or where ever D+ was installed. In this folder, typing DebyeCalculator.exe -h, will print the help menu of the program, which provides the allowed options.