ros

Posts by ros:

• Detect regions of high mobility in a protein simulation.
• Making a 3d histogram of the position of a small molecule around a receptor.
• Clustering a protein from multiple independent copies
• Making a movie from an AMBER trajectory using VMD
• Filtering frames using a distance restraint
• Comparing the structural difference between a series of structures.
• Calculate states between a small molecule and a receptor
• Hydrogen bond analysis between a protein and a small molecule
• Histogram analysis of dihedral angle distributions
• Generating histograms with CPPTRAJ