Salt Induced Transitions in Structural Ensemble of Intrinsically Disordered Proteins

Simulation data and the corrosponding analysis script for the work "Salt Induced Transitions in Conformational Ensemble of Intrinsically Disordered Proteins "  by Hiranmay Maity, Lipika Baidya and Govardhan reddy are deposited here. 

Analysis Scripts:

The scripts for analysing the simulation data are in analysis_script.zip. The folder contains:

autocorrelation.c : code for calculating end_to_end distance autocorrelation function with time in C.

average_property.cpp: code for calculating average property such as radius of gyration (Rg) from trajectory files in C++.

calculate_saxs_kratky.c: code for calculating  scattering profile (SAXS and Kratky) from simulation data in C.

compute_contact_map.cpp: code for calculating contact map in C.

probablity_distribution.c:  code for calculating probablity distribution of Rg in C.

structure_factor.c: code for calculating structure factor in C.