[Chimera-users] ACA 2016 SAS Workshop

Kushol Gupta kgupta at mail.med.upenn.edu
Sat Apr 2 05:08:27 PDT 2016

On behalf of the organizing committee, I am pleased to announce a workshop
on "Computational Approaches to the Structural Modelling of Biological
Macromolecules using Small Angle Scattering." This workshop will take place
on Friday, July 22nd, 2016 at this year's American Crystallographic
Association (ACA) Meeting in Denver, Colorado, U.S.A. The meeting itself
will run from July 22-26.


WK.02 Computational Approaches to the Structural Modelling of Biological
Macromolecules using Small-Angle Scattering.


This one-day workshop will focus on computational approaches to structural
modelling and analysis. In the first session, a brief reprise of fundamental
concepts will be provided, with a focus on pitfalls in data acquisition and
reduction that can affect subsequent data analysis and modelling. The
remainder of the day will be allocated to the hand-on application of the
leading software packages to the analysis of solution scatter. This workshop
will feature direct participation from the creators of the most prevalent
software packages currently used (including BIOSAXS(EMBL), SIBYLS, CCP-SAS,
FoXs and IMP). The participating groups will present their software,
including the basis for the algorithms employed, and further deliver guided
hands-on tutorials for workshop participants. This approach will introduce
and train participants on the appropriate application of these tools,
including experimental design, model preparation, comparison of structural
models using both SAS and complementary information, validation, and most
importantly the limitations of interpretation with regards to the biological
conclusions that can be made.


The workshop format will include lectures, and a selection of hands-on
practical exercises. Students will be expected to bring laptops with
appropriate pre-installed software as necessary. Prior to the workshop, a
website will be made available containing installation instructions and
software for each tutorial.


Tentative Program Schedule


Basic Theory and Methods Joint Session 8:00 am - 9:30am


- Introduction: what is SAS data good for? (short)

- Theory Essentials: How to get your scattering profiles

- SAXS and SANS: common pitfalls, how to ensure the data is suitable for

- Cross Checks and Validation


9:30 AM - 10:00 AM       Coffee Break


Software Application and Tutorial Session 10 am - 7pm


10:00 AM - 11:30 AM     BIOSAXS(EMBL) lectures and guided tutorial

11:30 AM - 12:30 PM     Lunch and Discussions (vendor presentations in the
form of 'lunch and learn')

12:30 PM - 2:00 PM       IMP Lectures and Guided Tutorial

2:30 PM - 3:00 PM         Coffee Break

3:00 PM - 4:30 PM         SIBYLS lectures and guided tutorial

4:30 PM - 6:00 PM         CCP-SAS lectures and guided tutorial

6:00 PM - 7:00 PM         Discussion


Pre-registration is mandatory. The fee to attend is:

.         Student (undergrad, grad or postdoctoral) - $140

.         Corporate - $275

.         Non corporate or non student - $140

Lunch will be included.




.         Angela Criswell Rigaku Americas Corporatio
Angela.Criswell at rigaku.com

.         Richard Gillilan Cornell CHESS reg8 at cornell.edu

.         Kushol Gupta Perelman School of Medicine, University of
Pennsylvania kgupta at upenn.edu

.         Michal Hammel SIBYLS group at The Advanced Light Source (ALS)
mhammel at lbl.gov

.         Susan Krueger NIST Center for Neutron Research/CCP-SAS
susan.krueger at nist.gov

.         Maxim Petoukhov BIOSAXS group at the European Molecular Biology
Laboratory (EMBL) maxim.petoukhov at embl-hamburg.de

.         Adam Round EMBL Grenoble around at embl.fr

.         Dina Schneidman Institute of Life Science, Hebrew University of

dina.schneidman at mail.huji.ac.il

.         Jill Trewhella University of Sydney jill.trewhella at sydney.edu.au


More information is available at:





Kushol Gupta, Ph.D.

Research Assistant Professor

Department of Biochemistry and Biophysics

Perelman School of Medicine at The University of Pennsylvania

 <mailto:kgupta at upenn.edu> kgupta at upenn.edu / 215.573.7260 / 267.259.0082 /
<http://www.stwing.upenn.edu/~kgupta> www.stwing.upenn.edu/~kgupta




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