X-ray Crystallography Laboratory

Dept. of Chemistry & Biochemistry


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Tirith Web File Server

Select your research group directory from the drop down menu.

If you cannot access your files, send email to gpyap@udel.edu with your login and preferred password.

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RAID information

The structure data on Tirith webserver are located on a four-slice redundant array of hard drives and backed-up to another RAID located in the department server room. This was implemented to introduce fault tolerance to disk crashes. Nevertheless we continue to encourage users to download and back up their data. The most important files are the CIF, RES and HKL. The most recent version of the crystal suite software, SHELX-2013, incorporates the RES and HKL files into the CIF, in which case the CIF alone is sufficient.

Database

A user-customizable Filemaker Pro database service is now supported at the XCL.

Utilities

PDF Browser Plugin for viewing PostScript files in Safari Mac OS X.
GraphicConverter program to view PostScript and HPGL files for Mac OS.
Ghostscript program suite to view PostScript files for Windows computers.
Graphic filter to insert HPGL files into MS-Word documents for Windows computers.
LCC Cell beta is available to view Shelx files for rendering and animation for Windows 2000 and XP.
CrystalMaker is a commercial molecular visualization package for Mac OS X.
Mercury is an excellent and free visualization program for Windows and for Mac OSX developed by the good folks that create the Cambridge Structural Database. This is particularly useful for examining extended structures with H-bonding for example.
GUX A TCL/TK GUI script for common crystallographic programs and operations. Modified from J. Reibenspies' original XGU.
SPlus A command-line program by Sheng-Qing Xia that prepares a "saint.ini" file from a suitable P4P file and frame data.

If you cannot access your group files, please send an email message to gpyap@udel.edu with your group code, login name, and preferred password. For security reasons, please select NEW passwords.

Examples of Acta Crystallographica E papers:

New format
Young & Yap (2007a) Acta Cryst. E63, m2075-
Young & Yap (2007b) Acta Cryst. E63, m1943-
Xie, et al. (2007) Acta Cryst. E63, m1902---m1903

Old format
Hadadzadeh, et al. (2006)
Jernigan, et al. (2006)

Example of Acta Crystallographica C paper:
Kreisel, et al. (2006)

Example of Collection of Czechoslovak Chemical Communications:
Salisbury, et al. (2006) Collect. Czech. Chem. Commun., 72, 5-6, 637-648.

Example of Polyhedron:
Maffet, et al. (2007) Polyhedron 26, 4758-4764.

Error 30 is more likely caused by faulty shutter bulbs.

Pictorial guide to replacing the Kryoflex membrane and dryer cartridge.

updated July 24, 2014