TOPSPIN Installation Guide for Red Hat Enterprise Linux WS 3 Copyright (C) 2004 by Bruker BioSpin GmbH All rights reserved. No part of this publication may be reproduced, stored in a retrieval sys- tem, or transmitted, in any form, or by any means without the prior consent of the publisher. Part-No: H9556SL1/02/01 revision state: 12/17/2004 Product names used are trademarks or registered trademarks of their respective holders. INDEX DONE INDEX Bruker software support is available via phone, fax, e-mail, Internet, or ISDN. Please contact your local office, or directly: Address: Bruker BioSpin GmbH Service & Support Department Silberstreifen 76287 Rheinstetten Germany Phone: +49 (721) 5161 455 Fax: +49 (721) 5161 943 E-mail: [email protected] FTP: ftp.bruker.de / ftp.bruker.com WWW: www.bruker-biospin.de / www.bruker-biospin.com ISDN: on request Contents Chapter 1 Introduction . 9 1.1 About this manual. 9 1.2 Conventions . 10 1.3 Hardware and software requirements for TopSpin . .11 1.3.1 Operating system requirements. 11 1.3.2 Special PC Hardware requirements . 11 1.3.3 Spectrometer requirements . 12 1.3.3.1 Avance systems with AQS rack . 12 1.3.3.2 Avance systems with AQX/AQR rack . 14 1.3.4 Software requirements . 17 1.4 Important Red Hat Linux Enterprise WS 3 configurations . 18 1.4.1 KDE - desktop manager: recommended by Bruker BioSpin . 18 Chapter 2 Express Installation and Configuration of TOPSPIN . 19 2.1 About this chapter. 19 2.2 Installing TOPSPIN. 19 2.2.1 Installation in parallel . 20 2.2.2 What do you want to do with TOPSPIN? . 24 2.3 Configuring TOPSPIN . 24 2.3.1 If you want to use a default configuration on a datastation . 25 2.3.2 If your PC controls a spectrometer: . 25 2.3.3 If you want to configure a processing-PC like your spectrometer-PC: . 28 Part I TopSpin Installation and Configuration Chapter 3 General Installation Information . 31 3.1 Installation order . 31 Chapter 4 Installing TOPSPIN . 33 4.1 NMR SUPERUSER and NMR ADMINISTRATION PASSWORD . 33 4.1.1 How to change the NMR ADMINSTRATION PASSWORD . 34 4.1.2 How to define a new NMR ADMINSTRATION PASSWORD. 35 4.2 Packages on the TOPSPIN DVD . 35 4.3 Installing TOPSPIN. 36 4.3.1 Installation in parallel . 36 4.3.2 What do you want to do with TOPSPIN? . 44 4.4 Perl and GCC . 44 4.5 Installing TopSpin patches . 45 4.6 The usage of the NMR-GUIDE . 46 3 4 4.6.1 Requirements for NMR Guide 4.0 . 46 4.6.2 Java Requirements for NMR-GUIDE 4.0. 47 4.6.3 Working with the NMR-GUIDE. 47 4.6.3.1INDEX Start up of the NMR-GUIDE . 47 4.6.3.2 Functionality test of NMR-GUIDE. 48 4.6.3.3 Using the NMR-GUIDE search engine . 48 Chapter 5 The TOPSINDEXPIN license . .DONE . 51 5.1 Questions and answers about the TOPSPIN license . 51 5.2 Ordering and installing the TOPSPIN license. 55 5.2.1 Ordering a license . 55 5.2.2 How do I determine the correct hostid . 56 5.2.3 Installing a Demo license . 56 5.2.4 Installing a full license on a license server . 56 5.2.5 Installing a full license on a license client . 57 5.2.6 Modifying the license file. 57 Chapter 6 Configuration of TOPSPIN . 59 6.1 Take over the configuration of XWIN-NMR/TOPSPIN into TOPSPIN 1.3 . 59 6.1.1 You have a XWIN-NMR configuration that you like to use for TopSpin (on the same PC) . 60 6.1.2 You have a XWIN-NMR configuration that you like to use for TOPSPIN (on another PC). 61 6.2 Configuring TOPSPIN . 61 6.2.1 If your PC controls a spectrometer . 62 6.2.2 If you want to configure a processing-PC like your spectrometer-PC: . 71 6.2.3 If you want to use a default configuration on a datastation . 75 6.2.4 If you do not know the configuration of your spectrometer . 75 6.2.5 If you added a new hardware component to your spectrometer . 77 6.3 Firmware update of the spectrometer hardware . 77 6.4 Configuring the BSMS-Keyboard . 79 6.5 A log of the entire system configuration . 79 6.6 Backup of VIFs (=Very Important Files) with nmr_save . 80 Chapter 7 Plotting and Printing with TopSpin . 85 7.1 Printing / plotting data . 85 7.1.1 Plotting and printing . 85 7.1.2 Print/Plot from the Menu . 85 7.1.3 Plot data from the Processing guide . 87 7.1.4 Plot data with the TOPSPIN PLOT EDITOR . 87 7.1.5 Store (Export) a Data Window as Graphics File. ..