On Jun 6, 2018, at 1:25 AM, Srivastava, Dhiraj <[log in to unmask]> wrote:
Hi Allsorry for asking non-crystallography related question. Is it possible to integrate crysol or FoxS in python and pymol? I have generated thousands of models of my protein that I want to test against SAXS and other biochemical data. The ability to integrate the comparison of experimental and calculated X-ray scattering profile into python and pymol will be really helpful as I can easily calculate other parameter of my protein in pymol and compare it to other biochemical data. There is a pymol plugin available for SAXS but its not helpful for me as its not practical to use plugins for so many different models. I am looking for script that can automate the calculation.if anyone has script that can do this and is willing to share with me, that will be really helpful.
thank youDhiraj
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