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.
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.
To visualize electron densities created in the RAW tutorial we will use both:
PyMOL - https://pymol.org/2/
To visualize results from the SASSIE-Web tutorial we will use:
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.
|8:30||Welcome/Overview + software installation help|
|9:30||BioXTAS RAW - Jesse Hopkins and Richard Gillilan|
-- RAW overview – Richard Gillilan
-- RAW advanced topics overview – Jesse Hopkins
-- Hands on demo of RAW – Richard Gillilan
-- Students work through RAW advanced analysis tutorial
|12:45||US-SOMO - Emre Brooks and Mattia Rocco|
|3:15||SASSIE Web- Susan Krueger and Joseph Curtis|