WORKSHOPS

Four workshops will be held on FRIDAY, MAY 26, in the conference hotel, Hyatt Regency New Orleans. Preregistration is MANDATORY and should be indicated on your registration form.The cost for each workshop is separate from the meeting registration fee.

 

 

WK.01  CSD Workshop - Communication and Innovation

[Room: Strand 12]

The Cambridge Structural Database (CSD) is the world's repository for all small molecule organic and metal-organic crystal structures. As such, this chemically diverse database of more than 850,000 entries is a highly valuable resource for structural chemistry research and education. The Cambridge Crystallographic Data Centre (CCDC) not only distribute the CSD but also provide a comprehensive set of software tools that enable the valuable structural data to be searched, analysed, visualised and explored. This workshop is split into two sessions and participants can choose to register for one or both. more

 

WK.02  CrysAlisPro and Olex2: From Raw Data to Publication

[Room: Celestin A]

The aim of this workshop is to provide software training with the freely available programs CrysAlisPro and Olex2.  The workshop will cover the complete small molecule crystallography workflow—from processing the raw images through uploading the final CIF to checkCIF. The workshop format will include brief background lectures followed by hands-on practical sessions. The target audience is both beginner and advanced users.

The morning sessions will focus on the theoretical and practical aspects of data processing using the freely available CrysAlisPro software.  Specific topics will include data processing of single and twinned crystals, absorption corrections and scaling, and publication. All these topics are important to ensuring good structures are published and archived. more   

 

WK.03  Introduction to PHENIX for Beginning and Advanced Crystallographers

[Room: Celestin B]

The purpose of the workshop is to train both beginning and advanced crystallographers in the use of the PHENIX software for macromolecular structure determination. The workshop will benefit the crystallographic community by making the use of this software accessible to a broader group of crystallographers, by teaching crystallographers when and how to use the software properly, and by teaching crystallographers how to get the most out of the software.  more

 

WK.04  Research Data Management

[Room: Celestin C]

The crystallographic community prides itself on its archiving of processed diffraction data and associated derived atomic coordinates. The natural extension is to extend this to primary i.e. raw diffraction data. The proposed workshop at ACA New Orleans 2017 would be the third of the IUCr's Diffraction Data Deposition Working Group (DDDWG), the first being at ECM27 in Bergen and the second being at ECM29 in Rovinj, focussed largely on the issues of securing raw diffraction data preservation wherever practical. So, along with the IUCr DDDWG open meetings the full calendar sequence is IUCr Madrid 2011, ACABoston 2012, ECM Bergen 2012, ECM Warwick 2013 (this particular Workshop led by IUCr's COMCIFS), IUCr Montreal 2014 and ECM Rovinj 2015. more