GASBOR
gasbor22pqw preview
gasbor22pqw minimizes the discrepancy between the p(r) function from the input file (circles) and the computed p(r) of the ab initio model (red line), i.e. fitting in real space. It is the only version of GASBOR with a GUI.
Other versions of GASBOR:
- gasbor22i - minimizes the discrepancy between input intensity I(s) and the computed scattering of the ab initio model, i.e. fitting in reciprocal space;
- gasbor22p - minimizes the discrepancy between the p(r) function from the input file and the computed p(r) of the ab initio model, i.e. fitting in real space, works faster than gasbor22i;
The runtime is proportional to the squared number of dummy residues (i.e. number of amino acids in the protein). gasbor22i yields better fits to the experimental data; gasbor22p makes sense for bigger proteins. See the manual for details.
|
