This one-day course (5-Feb-09) is intended for crystallographers who use SYSTEM-S for solving, refining and publishing crystal structures.
The course consists of presentations and practical tutorials.
A separate course about the interpretation of crystal structure determinations is given on the two days before (3 and 4-Feb-09). Further information can be found here.
What are the ideas behind SYSTEM-S? How is the program implemented on the computer? What input files are necessary? Where can specific files be found? How to access the documentation?
Determination of the Laue symmetry and the space group.
Structure solution via build-in routines. Using external programs (SHELXS, SIR, DIRDIF). Charge flipping.
Completion of partial structure solutions. Correct assignment of atom types.
Bringing the structure to a publishable state. Renaming atoms. Introducing hydrogen atoms. Twinning tools.
Structure validation. Molecular graphics.
During the course there will be practical exercises of the use of SYSTEM-S
In order to perform the tutorials, the participants are advised to bring in their own laptops. The necessary software and the exercises will be distributed on CDROMs. Note: SYSTEM-S is only available for Linux (and other unix platforms).
H.R. Kruytgebouw, room W-728, Padualaan 8, 3584 CH Utrecht.
Date: Thursday 5-Feb-09, 10.00h - 17.00h.
For the academic community: 35 euro (including lunch and handouts). This fee should be paid on the day of the course.
For participants from industry the fee is 300 euro.
The H.R. Kruytgebouw can be reached from the Central Railway Station by bus lines 11, 12 and 12s.
Take exit "De Uithof" (coming either from A28 direction Amersfoort or Ring Utrecht Oost), follow sign "De Uithof"(Universiteitsweg), take the 2nd road on the right (Leuvenlaan, cross speedbump), after 800 m left, parking area Padualaan (P6, paid parking).
Further information and registration forms are available from:
Martin Lutz