SHELX workshops

SHELX Workshops at the ACA Meeting 2016

The following talks were presented at the SHELX workshops at the ACA Meeting in Denver Colorado USA on July 22nd 2016, chair George Sheldrick, Göttingen and co-chair: Jens Lübben, Düsseldorf. [P] refers to versions with four slides per page suitable for printing.

Small molecule and solid state chemistry
George Sheldrick (Göttingen): Introduction to SHELX, structure solution with SHELXT [P]
Peter Mueller (MIT): Refinement of disorder with SHELXL [P]
Bill Clegg (Newcastle): Twinning and absolute structure [P]
Claudia Wandtke (Göttingen): shelXle - a GUI for structure determination with SHELXL [P]
Daniel Kratzert (Freiburg): DSR - disordered structure refinement [P]
Xiaoping Wang (ORNL): Refinement of small molecules against neutron data [P]
Ton Spek (Utrecht): (check)CIF, SHELXL-2014, SQUEEZE [P]

Macromolecules
George Sheldrick (Göttingen): Experimental phasing of macromolecules with SHELXC/D/E [P]
Max Nanao (ESRF): RIP and RIPAS phasing with the help of SHELXC/D/E [P]
Andrey Lebedev (CCP4): SHELX in CCP4 and extension of borderline MR solutions with SHELXE [P]
Massimo Sammito (Göttingen): Enforcing secondary and tertiary structure for crystallographic phasing [P]
Anna Lübben (Göttingen): PDB2INS - setting up macromolecular refinements for SHELXL [P]
Leighton Coates (ORNL): X-ray and neutron macromolecular refinement using SHELX [P]
Jens Lübben (Düsseldorf): R-complete - a bias free quality indicator [P]

SHELX Workshops at the IUCr Meeting 2014

The following talks were presented at the SHELX workshops at the IUCr Congress in Montreal, Canada on August 5th 2014. [P] refers to versions with four slides per page suitable for printing.

Small molecule applications (Chairs RHI and GS):
George Sheldrick: Introduction to SHELX, structure solution with the new SHELXT [P]
Regine Herbst-Irmer: Twinning [P]
Simon Parsons: Absolute Structure Determination [P]
Peter Mueller: Small molecule refinement and handling disorder [P]
Ton Spek: CIF, PLATON-2014, SHELXL-2014, validation and SQUEEZE [P]
Christian Hübschle: ShelXle - A Cute Graphical User Interface for SHELXL [P]

Macromolecular applications (Chairs IU and GS):
George Sheldrick: Introduction to macromolecular phasing with SHELX [P]
Thomas Schneider: Data Quality and the HKL2MAP GUI [P]
Andrea Thorn: ANODE & Molecular Replacement Solutions in SHELXE [P]
Isabel Uson: ARCIMBOLDO and BORGES for solving macromolecules ab initio [P]
Tim Gruene: Modern Cross Validation & Macromolecular Refinement against Neutron Data [P]
Paul Emsley: Coot & SHELXL [P]