Develop a tool that calculates the Rg values of each component and the distance between the centers of mass of the two components from PDB/DCD files. These values can be directly compared to those that are determined from the Stuhrmann and parallel axis theorem analyses. The experimental values are independent of contrast since they are obtained using the entire contrast variation data set. This tool could be written using capabilities that already exist in zazmol.
Where does this tool belong? Would it be a separate tool under contrast variation in addition to contrast calculator, contrast explorer and multi-component data analysis? Or would it be an advanced option in contrast explorer?
Develop a tool that calculates the Rg values of each component and the distance between the centers of mass of the two components from PDB/DCD files. These values can be directly compared to those that are determined from the Stuhrmann and parallel axis theorem analyses. The experimental values are independent of contrast since they are obtained using the entire contrast variation data set. This tool could be written using capabilities that already exist in zazmol.
Where does this tool belong? Would it be a separate tool under contrast variation in addition to contrast calculator, contrast explorer and multi-component data analysis? Or would it be an advanced option in contrast explorer?