BioSAS: Advanced Applications

BioSAS: Advanced Applications

October 7, 2018, Peninsula A

Solution small-angle x-ray and neutron scattering methods are having an increasing impact in structural biology largely due to advanced hardware, data analysis and modeling. The objective of this course is to give users hands-on practical experience with a variety of software tools that provide powerful capabilities for processing, analyzing and modeling BioSAS experimental data. This course will introduce participants to advanced analysis techniques such as deconvolving SEC-SAS data sets and utilizing molecular dynamics in combination with SAS curve fitting. The software used will include the BioXTAS RAW, SASSIE-web and US-SOMO software suites. The instructors are  Emre Brookes (UTHSCSA), Joseph Curtis (NIST), Jesse Hopkins (BioCAT, APS), Richard Gillilan (MacCHESS), Susan Krueger (NIST), Mattia Rocco (HSanMartino, Italy) and other available staff. Participants should bring their own laptop computers to complete the hands-on exercises. This workshop is complementary to the Beyond Rg BioSAXS Data Analysis course, and will cover advanced techniques not in that course. It assumes participants are already familiar with basic SAS data analysis methods. 

Topics covered

BioXTAS RAW:  Evolving Factor Analysis deconvolution, DENSS reconstructions

US-SOMO: Workflow for handling SEC-SAXS data

SASSIE: SASSIE Workflow

Students are strongly encouraged to visit the websites below for Installation instructions and tutorial data.

Install BioXTAS RAW 

Install US-SOMO

How to Access SASSE-Web

To visualize electron densities created in the RAW tutorial we will use both:

Chimera - http://www.rbvi.ucsf.edu/chimera/download.html

PyMOL - https://pymol.org/2/

To visualize results from the SASSIE-Web tutorial we will use:

VMD - https://www.ks.uiuc.edu/Research/vmd/

In order to get the most out of the workshop, please have these programs installed as well.

Note that Chimera is free for non-commercial use, while PyMOL has a free evaluation version you can use (and alternatively a free open source version). VMD is free for non-commerical use.

Schedule