Event Name

SHELX Workshop

Start Date 22nd Jul 2016
End Date 22nd Jul 2016
Description

This is a Workshop of the 66th Annual Meeting of the American Crystallographic Association.

Description:

  • Part A: Small Molecular and Solid State Chemistry - morning session
  • Part B: Macromolecules - afternoon session

SHELX is a set of programs for the determination of small (SM) and macromolecular (MM) crystal structures by single crystal X-ray and neutron diffraction. These stand-alone executables require no libraries, extra files or environment variables. They are compatible with all modern versions of Linux, Windows and MacOSX, and are free for academic use. For-profit users are expected to pay a licence fee that covers development and support for all users.

The programs may be called from a GUI such as shelXle, Olex2, Oscail or WinGX (SM refinement) or hkl2map (MM phasing), or from a command line in a terminal window (for Windows, this is called Command Prompt and may be found in Accessories). Several of the programs output an instruction summary if called without a filename. SHELX-2015 contains the following programs:

  • SHELXT - New small molecule (SM) structure solution program.
  • SHELXS - Classical direct methods for SM structure solution.
  • SHELXL - SM and MM refinement, more or less compatible with SHELX76 and SHELXL-97.
  • CIFTAB and ShredCIF - editing and processing SM CIF files from SHELXL.
  • SHELXC, SHELXD and SHELXE - MM phasing. SHELXD is also useful for SM direct methods.
  • AnoDe - preparation and analysis of MM anomalous density maps.

Participants may register for one or both session. The cost of each session is $25 for students and postdocs and $50 for all others.

Contact:

George Sheldrick: http://shelx.uni-ac.gwdg.de/~gsheldr/

Location Denver
United States
Contact George Sheldrick
URL http://www.amercrystalassn.org/wk.05-shelx
iCal


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Category Workshops
Topics Biological macromolecules | Computing | Structural chemistry