Hi. If you really want to use a python based script, then you can probably look at IMP (https://integrativemodeling.org/). However, would it not work if you download FOXS and run it on thousands of models automatically. Regards, Amin.
On Wed, Jun 6, 2018 at 8:25 AM, Srivastava, Dhiraj < [email protected]> wrote: > Hi All > > sorry 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 you > > Dhiraj > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
