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Crystallographers Notes and News Groups and Generates the Required This Section Is Intendeed to Be a Series of Short Para- Symmetry Instructions for ORTEX

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Crystallographers Notes and News Groups and Generates the Required This Section Is Intendeed to Be a Series of Short Para- Symmetry Instructions for ORTEX COMPUTER PROGRAM ABSTRACTS 439 in the SHELX file for all space Crystallographers Notes and News groups and generates the required This section is intendeed to be a series of short para- symmetry instructions for ORTEX. graphs dealing with the activities of crystallographers, J. Appl. Cryst. (1994). 27, 439-440 ORIN generates instructions for 'long' such as their changes of position, promotions, as- bonds, can translate the asymmetric sumption of significant new duties, honours etc. Items The new high-resolution neutron powder for inclusion, subject to the approval of the Editorial unit and can append unit-cell corners Board, shouldbe sent to The Executive Sectretary, 2 diffractometer (HRNPD) is now available to the atom list. A 'fast' colour-coded Abbey Square, ChesterCH1 2HU, England. at the Brookhaven high-flux beam reac- stick rotator is provided to allow rapid tor (HFBR). This new user facility offers view selection. ORTEX will generate resolution in neutron powder diffraction drawings of this view with many options. J. AppL Cryst. (1994). 27, 439 patterns exceeding that of many 'home Some of the options are: bonds only, laboratory' X-ray diffractometers in the bonds and atom outlines, bonds and Professor Anthony Kevin Cheetham, high-angle region where the highest thermal ellipsoids and bonds with atom Director of the Materials Research Lab- peak densities usually occur. First outlines and atom-centred numbering in oratory at the University of California operated on 1 July 1993, the HRNPD two print sizes. Any view may be rotated at Santa Barbara, USA, and Professor has an instrumental profile that is smooth on any of x, y and z in any order. Any of Solid State Chemistry in the Royal and nearly symmetric as well as narrow. drawing may be written to a plot file. Institution, London, was elected a Fel- To combine high resolution with high Standard VGA is the default screen low of the Royal Society on 10 March intensity, the unit features a 25-element mode and three SVGA modes up to 1994. He was distinguished for his work 'Venetian-blind' monochromator design 1280 x 1028 are available. The 800 x on determining the chemical structure of and 64 3He detectors. 600 mode works on most machines and materials, especially inorganic materials. As is shown by the 420 reflection of the higher modes work best on VESA He has developed and exploited neu- CeO2 below, the FWHM of the instru- machines. All screen modes use a black tron beams and synchrotron radiation, mental profile is no more than 0.15 ° background and two options that include especially powder profile methods to an- at 103 ° (20) with 11 '-11 '-5' collimators a title are suitable for making slides. alyse the structure of solid-state materi- in place. This corresponds to (Jd)/d in If the unit cell is appended by ORIN, als not amenable to single-crystal X-ray the 10-4 range. With this unusually high the cell outline can be drawn. This is and spectroscopic techniques. This has resolution and an excellent flux on spe- colour coded to allow easy identification enabled him to interpret the behaviour of cimen (e.g. 3 x 105 neutrons cm -2 s -1 of the origin and the a, b and c directions. microporous catalysts and adsorbers, of with the HFBR operating at half power), Two lattice-packing modes are provided. great potential industrial value. the HRNPD takes a leading place among Simple application of the space-group the neutron powder diffractometers of operations to asymmetric units in one the world. Many studies dependent or more cells can be used to examine Professor George Guy Dodson, Profes- on details of the reflection profiles the crystal lattice; a cell-fill mode is also sor of Biochemistry in the University of (e.g. slight splitting from subtle phase provided. In cell-fill mode, the program York and Head of the Division of Protein changes, correct separation of the attempts to fill one or more unit cells with Structures at the National Institute for contributions from different phases, asymmetric units. Medical Research, was elected a Fel- microstructure studies via details of 'line' Colour or black-and-white files may low of the Royal Society on 10 March broadening) are now made possible. be written in HPGL or for the DeskJet 1994. He is renowned for performing series of plotters. The HPGL files may X-ray analyses of numerous biological be printed on LaserJet III or 4 or inserted substances in order to determine their into a drawing package. structure and form. He has undertaken a Inlens~ty (coun() major study on insulin in different forms, 14(3 Hardware environment: The program both naturally occurring and man made. 12C requires at least a 386/387, DOS 5, He has also undertaken extensive in- 10(: 4 Mbytes of RAM, a VGA screen and vestigations into bacterial genetic mate- 8C about 3 Mbytes of disk space. rial and into haemoglobin. His laboratory 6C solves the structures of crystalline pro- 4C teins from all over the world. Documentation and availability: The 2C .....-..-_._ program, together with manual and i test files is available on 1.44 Mbyte Professor James Fraser Stoddart, floppy disks or via ftp from the author, 102 8 1030 103.2 1034 1036 103 8 Professor of Organic Chemistry in the 2e {degrees) IN%P.McArdle@ UCG.IE. (420) reflectlo~ of CeO2 University of Birmingham, was elected a Fellow of the Royal Society on 10 420 reflection of CeO2 Keywords: Crystallography; ORTEP; March 1994. He was distinguished SHELX; PC; protein; PDB; unit cell; plot for the design and discovery of new The HRNPD is being operated as a file. approaches to the synthesis of novel national/international facility by a PRT organic substances using the tech- (participating research team) to which niques of molecular recognition and is allocated 50% of the instrument's References supramolecular chemistry. He combined time. The other 50% is now available to Johnson, C. K. (1971). ORTEP. Report a number of techniques from synthetic general users on a competing proposal ORNL-3794 revised. Oak Ridge Na- chemistry to establish the principles of basis. There is no charge for using it for tional Laboratory, Tennessee, USA. self-assembly and template direction research work that is neither proprietary Sheldrick, G. (1993). SHELXL-93. in organic synthesis. His work opens up nor for commercial gain. One may gain Program for the Refinement of Crys- the possibility of novel chemical sensors. access to the instrument either as a tal Structures. Univ of G6ttingen, It has created completely new areas of general user or, on occasion, through Germany. experimental inquiry in organic chemistry collaboration with a PRT member. For a McArdle, P. (1993). J. Appl. Cryst. 26 and the investigation of new organic General User Proposal Form, write to Ms 752. materials. Rae Greenberg, HFBR User Program .
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