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Restructuring of the IUCr editorial office

Restructuring of the IUCr editorial office <h2>Journal of Applied Crystallography</h2><h3></h3><h3>0021-8898</h3> <h2>international union of crystallography</h2> Volume 27 Part 1 Page 131 February 1994 <h2>Restructuring of the IUCr editorial office</h2> J. Appl. Cryst. (1994). 27, 131 PSL + SEARCHER and DIREC- TER - automatic structure analysis of organic compounds using a PC. By KENJI OKADA, Research and Development Center, Ricoh Co. Ltd, Kouhoku-ku, Yoko- hama 223, Japan (Received 19 May 1993; accepted 3 August 1993) The crystallographic problem: PSL selects one heavy-atom solving Patter- son function and SEARCHER de- termines the positions of all the remaining atoms automatically. DIREC- TER is based on the symbolic-addition method and automatically determines most atoms. In a single PC run, the user can determine the molecular fragments by inputting the atom symbols with no chemical assumptions or human inter- vention. Method of solution: PSL and SEARCHER are used for organic compounds that include sulfur or a heavier atom. The PSL procedure is as follows: (i) read the cell constants, heavy-atom symbol, reflection data and Harker sets; (ii) calculate the Patterson function for all Harker sets or an asymmetric unit and store the peaks and heights (u, v, w, H); (iii) convert all peaks into coordinates, combine these coordinates and store http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Applied Crystallography International Union of Crystallography

Restructuring of the IUCr editorial office

Journal of Applied Crystallography , Volume 27 (1): 131 – Feb 1, 1994

Restructuring of the IUCr editorial office

Journal of Applied Crystallography , Volume 27 (1): 131 – Feb 1, 1994

Abstract

<h2>Journal of Applied Crystallography</h2><h3></h3><h3>0021-8898</h3> <h2>international union of crystallography</h2> Volume 27 Part 1 Page 131 February 1994 <h2>Restructuring of the IUCr editorial office</h2> J. Appl. Cryst. (1994). 27, 131 PSL + SEARCHER and DIREC- TER - automatic structure analysis of organic compounds using a PC. By KENJI OKADA, Research and Development Center, Ricoh Co. Ltd, Kouhoku-ku, Yoko- hama 223, Japan (Received 19 May 1993; accepted 3 August 1993) The crystallographic problem: PSL selects one heavy-atom solving Patter- son function and SEARCHER de- termines the positions of all the remaining atoms automatically. DIREC- TER is based on the symbolic-addition method and automatically determines most atoms. In a single PC run, the user can determine the molecular fragments by inputting the atom symbols with no chemical assumptions or human inter- vention. Method of solution: PSL and SEARCHER are used for organic compounds that include sulfur or a heavier atom. The PSL procedure is as follows: (i) read the cell constants, heavy-atom symbol, reflection data and Harker sets; (ii) calculate the Patterson function for all Harker sets or an asymmetric unit and store the peaks and heights (u, v, w, H); (iii) convert all peaks into coordinates, combine these coordinates and store

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1994 International Union of Crystallography
ISSN
0021-8898
eISSN
1600-5767
DOI
10.1107/S0021889894099711
Publisher site
See Article on Publisher Site

Abstract

<h2>Journal of Applied Crystallography</h2><h3></h3><h3>0021-8898</h3> <h2>international union of crystallography</h2> Volume 27 Part 1 Page 131 February 1994 <h2>Restructuring of the IUCr editorial office</h2> J. Appl. Cryst. (1994). 27, 131 PSL + SEARCHER and DIREC- TER - automatic structure analysis of organic compounds using a PC. By KENJI OKADA, Research and Development Center, Ricoh Co. Ltd, Kouhoku-ku, Yoko- hama 223, Japan (Received 19 May 1993; accepted 3 August 1993) The crystallographic problem: PSL selects one heavy-atom solving Patter- son function and SEARCHER de- termines the positions of all the remaining atoms automatically. DIREC- TER is based on the symbolic-addition method and automatically determines most atoms. In a single PC run, the user can determine the molecular fragments by inputting the atom symbols with no chemical assumptions or human inter- vention. Method of solution: PSL and SEARCHER are used for organic compounds that include sulfur or a heavier atom. The PSL procedure is as follows: (i) read the cell constants, heavy-atom symbol, reflection data and Harker sets; (ii) calculate the Patterson function for all Harker sets or an asymmetric unit and store the peaks and heights (u, v, w, H); (iii) convert all peaks into coordinates, combine these coordinates and store

Journal

Journal of Applied CrystallographyInternational Union of Crystallography

Published: Feb 1, 1994

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