IUCLID 5 Guidance and Support
Contents
1. 2 1 4 Installation and Configuration of Oracle The installation and configuration of an Oracle database are out of the scope of this document For full details consult the documentation supplied by the vendor Information specific to IUCLID is given in the IUCLID installation manual Client Server Architecture Oracle which is available from the same site as this manual The configuration of the connection between an Oracle database and IUCLID 5 is described later in this document in Section 2 3 2 Database connection for Oracle 2 2 Installing IUCLID 5 Unzip the archive that contains the software for the manual installation of IUCLID 5 Do not unzip or change the relative location of any of the plugin archives Create an installation directory for UCLID 5 somewhere convenient for example C Program F1 les IUCLID5 Copy the directory workstation and all its contents into the installation directory 2 3 Post installation configuration lf you are making a fresh installation of INCLID 5 using PostgreSQL for the database and only the default values suggested in this document IUCLID 5 should start without any additional configuration Otherwise it is necessary to set values for parameters in the file workstation properties that is located in a folder named conf within the installation folder Values set in the file over ride hard coded defaults Parameters for which you do not want to set your own values should be commented out2. of Java other than those that are used with the IUCLID 5 installer for Windows For example the database Oracle rather than PostgreSQL If you encounter any problems during the installation that cannot be solved using information in this manual or the documentation of third party softwares before contacting ECHA Helpdesk please try the IUCLID FAQ located at the IUCLID web site http iuclid eu 1 1 Hardware requirements The following requirements are provided as only a guide e At least 2 GB of RAM on the mother board 4 GB if PostgreSQL is run on the same machine as IUCLID 5 e Intel Pentium Dual 1 8 GHz e 10 GB of hard drive space An installation of IUCLID 5 will most likely run on a lower specified machine but the performance might not be satisfactory The requirements depend in part on the version of Windows and the IUCLID 5 plugins that are in use For example using the Query Tool plugin will increase the resources required to obtain a reasonable running speed especially on a large database The handling of large attachments increases the memory requirement 1 2 Software requirements The software prerequisites for the installation are as follows e Windows preferably with knowledge of the administrator password It is recommended to carry out the installation from a standard type of Windows user account rather than an administrator You will be prompted to enter the administrator password where necessary e Java SE Runti
3. 2 Download the latest one click installer for PostgreSQL for your version of Windows It is available without charge within the limits of the license from www postgresql org download Run the installer If a Windows user postgres does not exist already the installer wizard will create one and ask you to give it a password Remember the password for subsequent steps 3 Create a database login role user named iuclid5 Create a database named juclid550 under that login role Remember the values for subsequent steps A convenient way to do this is using the graphical admin tool pgAdmin IIl that comes with PostgreSQL 4 Create an installation directory for UCLID 5 somewhere convenient for example C Program F1 les IUCLIDS 5 Copy into the installation directory all the contents of the directory named workstation supplied in the zipped archive of the IUCLID 5 download Do not unzip any of the plugin files 6 Set the values for the username and password of the PostgreSQL database user ogin role as defined above The values are stored in the file named workstation properties that is located in a folder named conf within the installation folder The default values are as follows hibernate connection username 1uclid5 hibernate connection password 1uclid5 7 Set the values for the level of security for user accounts as described in Section 2 3 4 Security settings for user accounts 8 Start IUCLID 5 by running the executable fi
4. 5 2 1 3 Configuration of PostgreSQL 00 ccccccccecceceeceeceeeeceeceee eee ecees eee eseeseeeeseseeeeseseeeesaeseeaesaeseegeees 10 2 1 4 Installation and Configuration Of Oracle 0 0 0 0 ccccccceceec cece eee ec eee cess ee eeeeaeeeeeeeeeaeseeaeneeeeneeeeas 15 ZZ Me ang IC EES sseni aE REA E E E EER EE 15 2 5 Postinstallaton CON QUIAUON sossarnas renia o EA ENA AAA 15 2 3 1 Database connection for PostgreSQL nanenenennnenenenerersrsrsrsrsrsrsrsrrrnrrrnrrrrrrrrnrrrnrnrnrnrnne 16 2 3 2 Database connection for Oracle ssesssrsarisicseanie sadin eii iea iea aE aaea EEN Eana 16 a AINON UG eaaa aE E AE EAEE 16 2 3 4 Security settings for user accounts ccccccceceececeeeeceecececeeseceececeeeeseeaeseeaeseseeseseeseseeaesass 17 2 4 Quick guide to installation and configuration example for system administrators cccceeneeeees 18 CPA I OAS rr ected EE ct me cineca terete S nt nated ase ad eine ached E E EA E E daemon A E A E 20 3 1 Upgrading from IUCLID 5 4 x to IUCLID 5 5 0 oo ccc cece eee ee cess ee eee ease ea eeeeaeseeaeseeeneeeeaeeees 20 ia lie THe MMIC ONY TOO eene E EE nema adnasuaseaey A 21 Bo Maza eMC WU CID S passe nc eres se rincinsiee ental tieiecaeialat E T soeina abising ace easels ac aasenemenateaneneaet 21 3 2 Upgrading from IUCLID 5 2 5 5 3 to IUGLID 5 5 0 ressesie oeii aa aaaea aaia 22 3 3 Upgrading from IUCLID 5 0 5 1 x to IUCLID 5 5 0 oo cece cee ee cece ee eee ee eee e
5. Compan Unless you particularly want to run the Stack Builder untick the box in the screen shown above To finish the instal lation click on the button Finish 2 1 3 Configuration of PostgreSQL A new user and a new database need to be created P Tip IUCLID 5 is configured by default to connect to the database using username iuclid5 and password iuclid5 It is convenient to specify the same password now and change it later when the ap plication is set up correctly O Important Take note of the password of this user This user name and password will be needed later to connect IUCLID 5 to the database The program pgAdmin Ill can be used to create the database as follows Start pgAdmin III from the menu Start All Programs PostgreSQL9 0 After the splash screen has appeared and you have closed the pop up window that shows usage tips the following screen is shown 10 IUCLIDS Figure 2 14 pgAdmin Ill interface on first opening tF pgAdmin M File Edit Plugins View Tools Help ie Object browser Properties bs Server Groups eB pnis i PostgreSQL 9 0 localhost 5432 E No properties are available for the current selection 4 a nm Retrieving Server details Done Right click the text PostgreSQL 9 0 localhost 5432 that is under the word Servers highlighted in blue in the figure above Select connect as shown below Figure 2 15 Connect pgAdmin Ill to PostgreSQL as user postgres UF pgA
6. a i Tablespaces 2 Ag Group Roles 0 coe Login Role Owner Comment Refresh New Login Role Object list report SQL pane Retrieving Login Roles details Done Enter the name of the login role We recommend using a name of 1uc11d5 Figure 2 20 Create a new login role i e a user with the name iuclid5 New Login Role Properties Role privileges Role membership Role name OID Can login Password ETILI Password again e sssss Account expires CO sl Connection Limit Role for IUCLID 5 application Use replication The login role can have a password set although this is optional Important O Make a note of the user name and if set the password They are referred to later in the installation in Section 2 3 1 Database connection for PostgreSQL We recommend using 1uc11d5 as the name of the login role and for the value of the password 13 IUCLIDS Request a new database by right clicking the item Databases and selecting New Database as shown in the figure below Figure 2 21 Request a new database in pgAdmin Ill OP pgAdmin M 2a RoR Ex File Edit Plugins View Tools Help i E PA D T EJ ET ae T Object browser 25 Properties Statistics Dependencies Dependents Ps Server Groups Z Servers 1 m PostgreSQL 9 0 localhost 5432 postgres postgres l Fii Database Owner Comment Refresh Ag Grou ee Lo ain New Databa
7. by placing the symbol at the start of the line The meanings of the parameters and their default configurations are described in the sub sections below P Tip If you experience difficulties in saving changes to the properties file try granting write access for it to standard local users This can be done by right clicking on the file selecting properties security 15 IUCLIDS highlighting your user group or user name then ticking the box allow for write You will need to supply an administrator password The write permission can be revoked after your IUCLID 5 has been successfully configured 2 3 1 Database connection for PostgreSQL This is where the values used to connect IUCLID 5 to a PostgreSQL database are defined Usually only the first three values need to be considered These define the name of the database the login role username and its password as shown below hibernate connection url jdbc postgresql localhost 5432 lt database gt hibernate connection username lt username gt hibernate connection password lt password gt hibernate connection driver_class org postgresql Driver hibernate dialect org hibernate dialect PostgreSQLDialect The default values are shown below hibernate connection url jdbc postgresql localhost 5432 1uclid550 hibernate connection username 1uclid5 hibernate connection password 1uclid5 hibernate connection driver_class org postgresql Driver hibernate dialect org h
8. hours WE First steps Import reference substance inventory Select a reference substance inventory to import into IUCLIDS The reference substance inventory is a catalogue of approximately 70 000 reference substances A reference substance is used for the identification of substances and contains information such as CAS Numbers IUPAC names SMILES and InChl notations structural formula and the EC inventory information The reference substance inventory is publicly available and can be downloaded entirely or partially lf you want to use the reference substance inventory in your IUCLID 5 installation please download it from the IUCLID Download Website and save the file on your hard disk To import the reference substance inventory in IUCLID 5 using this wizard please tick the import box Select the import file by navigating to the desired file on your computer Note it is possible to import the reference substance inventory at a later stage using the import function from the IUCLID 5 Task panel Import reference substance inventory Select the import file DAIUCLID Referencesubstance i5z 4 gl g HB B MEA lt Back f Next gt Cancel Reference substance inventory import Tip Time and IT resources can be saved by importing into IUCLID 5 only the Reference substances you need Various different sizes of Reference substance inventory can be downloaded from the IUCLID web site There is a full set a reduced list and a fu
9. IUCLID 5 Guidance and Support Installation Guide for IUCLID 5 5 Standalone Application Custom Installation on Microsoft Windows IUJCLIDS INTERNATIONAL UNIFORM CHEMICAL INFORMATION DATABASE March 2013 Legal Notice Neither the European Chemicals Agency nor any person acting on behalf of the Agency is responsible for the use which might be made of the following information A wealth of additional information on the European Union is available on the Internet It can be accessed at the addresses http iuclid echa europa eu http echa europa eu http europa eu European Chemicals Agency Reproduction is authorised provided the source is acknowledged IUCLIDS Table of Contents 1 INT OCON ects acess E Aicta ected ane a aka tec std daca saeco fcct mutase a Wn tatadee hc tec deo incense doen E AE R 1 1 1 Hardware requirements cccccccccccecececececececececucueaeeececeaeaeaeeeseseeesesesesesececaeusueusuegegeaeananansnsesesegegs 1 1 2 SOMWare TEQUINGIMOCINS cesses sce varctacsacacenddewesn cena e AE EAA EE A nna baccadeeededoesdenemesanes ca 1 2 Making a fresh installation Of IUCLID 5 oo ccc cece eee e eee e eee e eee eee e a eens eee eeaeseea ease eaeseeaeseeaeaeeaeaeeeeaeeeees 3 2 1 Installation of the Software Required by IUCLID 5 cece cccee eee ee eee eeeeeeeeeeeaeeaeaeeeeaeeeeaeeeeaeaes 3 kT MoA Or GAVE as EE EE EAE EERE 3 2 12 Instalaton OF POSIGIE SOL sasni e a a ea AEE a Raet
10. UCLIDS Figure 4 6 Step 3 of the First steps wizard Change password If the password for SuperUser has never been changed from its default value of root the traffic light in the wizard screen will be yellow To change the password check the box Change SuperUser password enter the current password and then the new password and then the new password again To proceed click the button Next WE First steps Change the SuperUser password For security reasons it is recommended to change the SuperUser s password and specify a security question g It is not secure as it is now Change SuperUser password Old password New password Confirm new password Question Answer We strongly recommend that you change the SuperUser password since each IUCLID 5 installation uses an identical default password To change your password please tickthe checkbox 8 5 5 8 5 a8 B lt Back Cia Change password Tip IUCLID 5 has a feature that can check the strength of passwords If the feature is turned on and the password you enter is considered to be too weak an error message is displayed that explains what a password must contain If that happens read the error message carefully then create a password that satisfies the criteria For example the default settings require the password to be at least 6 characters in length and to contain at least one uppercase letter and one lowercase letter The policy for the SuperUser is the same
11. and service account postgres If the service account already exists in Windows you must enter the current password for the account If the account does not exist it will be created when you dick Next Password TTTiT ttt Retype password eeee8 a BitRock Installer ce IUCLIDS Figure 2 9 Port number for PostgreSQL Please select the port number the server should listen on Port 5432 BitRock Installer cane Figure 2 10 Set the default locale for PostgreSQL Select the locale to be used by the new database duster Locale Default locale BitRock Installer IUCLIDS Figure 2 11 Confirm installation of PostgreSQL 1 Setup Ready to Install Setup is now ready to begin installing PostgreSQL on your computer BitRock Installer Cee Ce Figure 2 12 Installation of PostgreSQL in progress Setup Installing Please wait while Setup installs PostgreSQL on your computer Installing Initialising the database duster this may take a few minutes BitRock Installer IUCLIDS Figure 2 13 Installation of PostgreSQL complete Completing the PostgreSQL Setup Wizard Setup has finished installing PostgreSQL on your computer Launch Stack Builder at exit E Stack Builder may be used to download and install additional tools drivers and applications to complement your PostgreSQL installation PostgreSQL Packaged by Enterprisep Pp The Enterprise PostgreSQL
12. as that for all users The password policy is set by editing a settings file within the installation files of IUCLID 5 This is documented in the relevant installation manual for your instance of IUCLID 5 Existing passwords can still be used to log in even if they do not conform to the current policy When a password is created it must conform to the current password policy Tip IUCLID 5 has a feature that allows a user to log in by answering a security question instead of providing the password for the account Users define their own questions and answers from within their own accounts However the SuperUser is a special case because the question and answer can be defined before logging in for the first time The question and answer are entered into the fields shown above in step 3 of the wizard To use the feature to log in a user clicks on the link Forgot your password which is situated at the bottom right of the login page 26 IUCLIDS Figure 4 7 Step 4 of the First steps wizard Import Legal Entity To import a Legal entity see the IUCLID 5 End user Manual select its LEOX file by browsing to the file The browsing is accessed by clicking on the folder icon to the right of the field Select the import file Click the Next button The Legal entity is imported immediately WE First steps Import legal entity In order to run IUCLID 5 you have to import your Legal entity obtained from the IUCLID Download Website Download Websi
13. ation is gathered as part of our install process Click here for more information on whatwe do collect Click Install to acceptthe license agreement and install Java now Change destination folder Cancel Install gt Figure 2 3 Installation is under way ORACLE Status Installing Java PT 3 Billion Devices Run Java ORACLE IUCLIDS Figure 2 4 Installation of Java is complete Java Setup Complete ORACLE W You have successfully installed Java When Javea updates are available you willbe prompted to download and Install vve recommend you always do soto ensure your system has the latest performance and security improvements see the instructions if you wantta change this behavior 2 1 2 Installation of PostgreSQL If either version 8 4 or 9 0 of PostgreSQL are already installed and running as a service with a user postgres the existing installation can be used Later versions of PostgreSQL might work but they are not yet supported If PostgreSQL is not already installed on the computer or you would like to upgrade it download the new version of PostgreSQL from the site www postgresq org download and install it The web site of PostgreSQL offers a range of alternative ways to download and install the PostgreSQL software The screen shots shown below show the use of the one click installer An example of the file name of the installer is postgresq 9 0 12 2 wind
14. dmin M a FoR E File Edit Plugins View Tools Help FO me Object browser 43 Properties Statistics epee hs Server Groups ma a El H Servers 1 roperty alue B Eneee PostgreSQL 9 0 Refres h laralhnc Connect Delete Drop Reports Properties Retrieving Server details Done Enter the password for user postgres as given in the postgres installer Figure 2 8 Password for the database superuser postgres and the Windows service account postgres then click OK It is recommended to store the password to facilitate future access 11 IUCLIDS Figure 2 16 Authenticate the user postgres i Connect to Server o ha m Please enter password for user postgres on server PostgreSQL 9 0 localhost E Store password If you elect to save the password the following warning might be displayed Click OK Figure 2 17 Saving passwords Warning 4 Guru Hint Saving passwords o eJ Saving passwords WARNING You have opted to save your password It will be stored in plain text in your home directory on nix systems or in your user profile on Windows lf you do not want this to happen please press the Cancel button pgAdmin uses PostgreSQL s pgpass mechanism to store your passwords On nix systems the password will be stored in pgpass whilst on Windows systems it will be stored in APPDATA s PosigreSQL pgpass cont APPDATA is the Application Data folder
15. e IUCLID 5 database such that it can no longer be used with previous versions of the IUCLID 5 application Therefore if you would like to be able to continue to use a data base with the previous version of IUCLID 5 do not run the migration tool on that particular database Either perform a fresh installation of the new version of IUCLID 5 and transfer the data across to it us ing Backup Restore or perform the upgrade and migration on a duplicate of the old database If two versions of IUCLID 5 are to be run on the same computer appropriate database settings must be used to avoid conflicts These depend on the particular set up required The use of custom database settings is described in Section 2 3 Post installation configuration The upgrade is carried out in the following sequence 1 Back up the database Use the built in Back up functionality of IUCLID 5 and or the backup function of the data base software for example PostgreSQL 2 Remove the executable program files for the previous version of IUCLID 5 The existing plugins for IUCLID 5 4 x are compatible with IUCLID 5 5 so they can be retained for use in the new installation Alternatively obtain the latest versions from the IUCLID web site 3 Install the program files for the latest version of IUCLID 5 5 as follows Unzip the archive that contains the software for the manual installation of IUCLID 5 Create an installation directory for IUCLID 5 somewhere convenient for exa
16. e esse eeeeaeeeeeeaeeeeaeneees 22 4 Initialisation of an installation Of JUCLID 5 oo ccc ce cece e cece e eee eens eens ease eee ee eee eeee eee eea ease ea eeeeaeeeenenees 23 Fe Mh EAI PRIN HO CEID sora ccc atesvees cua EE E E 23 A2 FMS SUC So WIZ Ai eea sa aie seins sctictaa ete inte aa etsin wa baie ses cnt aes eta wna deanna hagas att heuene eens ene eane 23 4 3 User management cccecec cc cecececeeeecececeeeeseseceeaeeesecsegecesecseeeeesesseeeaesessceeeseseceeansesecseatensenseenanes 31 5 UmiNstalaton of COD 5 sssrinin aE EAE EA AEA EN E A oocnaedates 32 IUCLIDS Chapter 1 Introduction IUCLID 5 can be installed either as a stand alone application or in a multi user environment that uses client server architecture The purpose of this document is to describe how to install manually a single stand alone application version of the IUCLID 5 software onto a computer running Microsoft Windows hereafter referred to as Windows The installation is performed by ensuring that prerequisite software is installed copying files to the computer and then if necessary making some configuration changes that are explained in this document If the instructions in this document are followed exactly no prior specialist knowledge is required of either the IUCLID 5 software or the software components required to run it The stand alone installation of IUCLID 5 should be carried out manually if you want to use a database and version
17. e where the installation software is published In addition it is recommended to upload a set of reference substances and the EC inventory These are also available from the web site at which the IUCLID 5 software is published P Tip Time and IT resources can be saved by importing into IUCLID 5 only the Reference substances you need Various different sizes of Reference substance inventory can be downloaded from the IUCLID web site There is a full set a reduced list and a function that allows you to create your own inventory using common identifiers as selection criteria such as EC Number and IUPAC name Before import ing the full set consider carefully whether it is really necessary Reference substances that are not imported during the initialisation process can be imported later A simple compromise is to start with the reduced list For more information regarding system requirements see the FAQ on the IUCLID web site located at http iuclid eu IUCLIDS Chapter 2 Making a fresh installation of IUCLID 5 If Java and PostgreSQL are already installed go straight to Section 2 1 3 Configuration of PostgreSQL 2 1 Installation of the Software Required by IU CLID 5 The installation of third party software is described by the respective publishers Please refer to their web sites for full instructions 2 1 1 Installation of Java 1 Verify whether Java JRE of the correct version is installed on the computer to wh
18. export directory g H B p p B p EMEA lt Back Next gt Cancel Create User Select the checkbox Create user Fill in all the fields The user needs a Log n name for identification during login The Full name is used for proper user identification The Assigned role is needed to administrate the access permissions In a newly installed IUCLID 5 the roles Administrator Full access and Read only are provided by default e Enter a Login name as it should be used for identification during login and the Full name used for proper user identification Click Set password to define a password Tip IUCLID 5 has a feature that can check the strength of passwords If the feature is turned on and the password you enter is considered to be too weak an error message is displayed that explains what a password must contain If that happens read the error message carefully then create a password that satisfies the criteria For example the default settings require the password to be at least 6 char acters in length and to contain at least one uppercase letter and one lowercase letter The policy for the SuperUser is the same as that for all users The password policy is set by editing a settings file 29 IUCLIDS within the installation files of IUCLID 5 This is documented in the relevant installation manual for your instance of IUCLID 5 Existing passwords can still be used to log in even if they do not conform to the curre
19. fully 8 Once the migration process has been completed successfully the new version of IUCLID 5 can be started and checked before being entered into production 3 1 1 The migration tool The migration tool is a script supplied with the installation package The file name is update bat Run the script as you would any other script either from the command line or by double clicking on its icon in the Windows file manager Whilst the migration tool is running a window is shown for the program cmd that contains a terminal to the command line of Windows A typical example is shown in the screen shot below Figure 3 1 Migration tool is running _ IUCLIDS Update loj x 2612 65 15 19 37 06 WARN ScriptUtils java i176 Checking METEEN a base Status Ceu eca iuc lid server integrat ion datahase scripts db post create changesets xml gt 2612 65 15 19 37 66 WARN ScriptUtils java 172 Upgrading tah le 2612 85 15 19 37 01 WARN ScriptUtils java i178 1 CaKn Rn Kaka Kanak kaka kakacakakadakakadakakadakakakakakaksits Database changes are being applied now This process might depending on the size of your database take some time seve ral minutes to perhaps hours gt Please do MOT shutdown the system as this might result in an inconsistent databa se state Leen Ran Ka EEEE EEEE EEEE EEEE EEEE Do not allow anything to happen that might interrupt this process Do not close the window When the migration of data has f
20. he level of security are defined in the settings file workstation properties that is located in a folder named conf within the installation folder Changes to values take effect on restarting IUCLID 5 The security features are described below The settings are shown below as they appear in the settings file that is supplied with the installation of IUCLID 5 The values are shown set to the hard coded defaults and commented out If a line is commented out the hard coded default value is used A value of zero 0 disables a feature The minimum length for a new password password min length 6 The minimum number of character sets used in the password password min charsets 2 If a secure question system is enabled password use secure question true In the example shown below the security features have been disabled The minimum length for a new password password min length 0 The minimum number of character sets used in the password password min charsets 0 If a secure question system is enabled password use secure questi1on 0 2 3 4 1 Minimum password length This feature is used to prevent the use of overly weak passwords for user accounts The password of a user account must contain at least this number of characters If an attempt is made to create a password with fewer characters an informative error message is given and the user is presented with an opportunity to try again The security policy is applied to pa
21. ibernate dialect PostgreSQLDialect 2 3 2 Database connection for Oracle This is where the values used to connect IUCLID 5 to an Oracle database are defined The default values are shown below Uncomment the lines as required hibernate hibernate hibernate hibernate hibernate hibernate connection connection connection connection hbm2dd1 au dialect eu username lt username gt pas sword lt password gt driver_class oracle jdbc driver OracleDriver url jdbc oracle thin localhost 1521 lt database gt to validate eca 1uclid server system persistence Extendedoracle9Dialect hibernate jdbc use_streams_for_binary false 2 3 3 Window title It is possible to define a name that is displayed at the top left of the IUCLID 5 interface Enter the name into the value of the parameter shown below The default value is shown below Uncomment the line as required 16 IUCLIDS configurable default window title overrides the title defined in the source code connection client window title IUCLID 5 5 0 2 3 4 Security settings for user accounts IUCLID 5 has features designed to control the level of security of authentication of user accounts The level of security can be tailored to that required for the particular installation of IUCLID 5 For example when setting passwords for their user accounts users can be forced to enter values that have a minimum strength The values of the parameters that determine t
22. ich IUCLID 5 will be installed Open a command prompt Start gt Run gt Open cmd At the command prompt enter the following java version Figure 2 1 Check version of Java E C Windows system32 cmd exe lo x Ci java version java version 1 7 6_13 JavatIh gt SE Runtime Environment tbhuild 1 7 68_13 h26 Java HotSpot TMh gt Client UMN tChuild 23 7 b61 mixed mode sharing GIN ua 2 Ifa message similar to the one shown in the screen shot above is not shown the system does not have Java SE in stalled in which case download the latest update of Java SE 7 JRE from the vendor s site http www oracle com and then install it If the version is 1 6 x the default version of Windows is Java SE 6 JRE IUCLID 5 5 0 is compatible with Java 6 but the vendor Oracle recommends to uninstall Java SE 6 and then to install the latest update of Java 7 Information relevant to the version of Java used with IUCLID 5 can be found in the IUCLID FAQ located at the IUCLID web site http iuclid eu The installation process is illustrated in some example screen shots below IUCLID 5 Figure 2 2 Select either the default or a custom destination for the installation ORACLE Welcome to Java Java provides safe and secure access to the world of amazing Java content From business solutions to helptul utilities and entertainment Java makes Your internet experience come to life Note No personal inform
23. in your user profile This mechanism is used by default by all programs that use the libpq library to access the server which includes command line applications such as pg_dump and pg_restore other GUI applications and drivers such as psqlODBC This means that those applications may automatically connect to the server using your stored password If you do not want this to happen you should not use the Store Password option in pgAdmin E Do not show this hint again Help Expand the tree for PostgreSQL 9 0 localhost 5432 by clicking the plus sign that has just appeared next to it as shown in the figure below Figure 2 18 Initial screen in pgAdmin Ill F pgAdmin M File Edit Plugins View Tools Help FES ia Object ovo x ce Server Groups B Servers 1 Dupaty wate 6 j PostgreSQL 9 0 ocalhost 5432 F Description PostgreSQL 9 0 a Databases 1 Hostname localhost H Tablespaces 2 Port 5432 s Group Roles 0 Encryption not encrypted E Login Roles 1 Service postgresgl 9 0 Maintenance database postgres Username postgres Store password No 4 mn Establishing connection Done 12 IUCLIDS Right click on Login Roles and select New Login Role Figure 2 19 Select the option New Login Role OP pgAdmin M File Edit Plugins View Tools Help Ta bo i aE Object browser i Properties hs Server Groups B B Servers 1 gt S PostgreSQL 9 0 ocalhost 5432 4 postgres Databases 1
24. inished the message Database update successfully finished is displayed in the window The database is then checked automatically and final changes are made At the end of the process the final message is Database is up to date The command line window then closes automatically If the process is interrupted try starting again from the beginning If that does not work restore the original database from a backup and try again During the migration process entries are written to log files named 15workstation log and 1uclidMT log The default path to the log files is user home 1uclid5 In practice this leads to a value such as C Documents and Settings lt user name gt 1ucl1d5 where lt user name gt is the name of the user account in Windows that is used to run IUCLID 5 The file 1 5workstation log contains statements about the start and end of the migration process Details of what data is being migrated are included in 1uc11dMT log If you need to know what happened during the migration process check those files first 3 1 2 Starting IUCLID 5 If the migration tool has run successfully you can now launch the newly installed IUCLID 5 5 by double clicking the icon that the installer created on your Desktop as shown below It is also possible to launch IUCLID 5 by running the file 1uc11d5 cmd that is included in the installation directory The initialisation process is not required All of the data that was present in the upgraded system sh
25. instructions included therein Note that the plugins for IUCLID 5 2 x 5 3 x are not compatible with IUCLID 5 5 Therefore they must not be copied over to the new installation Compatible versions can be downloaded from the IUCLID web site 3 3 Upgrading from IUCLID 5 0 5 1 x to IUCLID 5 5 0 To upgrade from 5 0 5 1 x no migration process is available and so the method of using Backup then Restore into a fresh installation must be used In IUCLID 5 0 5 1 x there is no built in Backup function Instead the functionality is provided by a plugin Backup Plug in 5 0 3 that is available on the IUCLID web site under downloads for IUCLID 5 1 1 22 IUCLIDS Chapter 4 Initialisation of an installation of IUCLID 5 This chapter describes the configuration that is required to create a working IUCLID 5 system from an installation of IUCLID 5 that has an empty database There are two scenarios either to create a working installation from scratch or to load data from a backup that was made using the built in Backup function of IUCLID 5 During initialisation from scratch reference substance data and a legal entity are uploaded into the database and the required user accounts can be created For initialisation from a backup make sure that the backup files are accessible from the system on which IUCLID 5 will be initialised What to do in each scenario is described in the rest of this chapter 4 1 Starting IUCLID 5 Connect to the application by ru
26. le 1uc11d5 cmd from the installation directory If IUCLID 5 does not run first time check that PostgreSQL is running as a service and that there is a user named posigres 18 IUCLIDS 9 When an installation of IUCLID 5 is started for the first time the wizard First Steps is launched It is designed to help in the set up of the installation Go through the steps of the wizard Detailed help is available via links denoted by a question mark at the bottom left of the wizard pages 101f the installation has been a success create any links to 1uc11d5 cmd you might require for example a shortcut from the Desktop There is an icon in the installation folder that you can use with a shortcut 19 IUCLIDS Chapter 3 Upgrade This document describes the process of obtaining an installation of IUCLID 5 5 0 that contains all the data from a previous version The details of how to proceed depend on the version being upgraded There is a chapter specific to each scenario To see the current version of IUCLID 5 log in to the application then click Help and select About Before starting the upgrade it is important to backup the database Use the built in Backup functionality of IUCLID 5 and or the backup functionality of the database Making only a copy of the file system on which IUCLID 5 is installed is not recommended as a means of backing up 3 1 Upgrading from IUCLID 5 4 x to IUCLID 5 5 0 Important Q The migration process changes th
27. lisation mode Newinstallation CI Restore from backup 5 f 5 5 5 a o Cem Init mode Figure 4 4 Step 2 of the First steps wizard Init mode Restore from backup To restore from a backup of a previous version of IUCLID 5 select the button Restore from backup then enter the directory containing the backup files as shown in the example below ME First steps Define the initialisation mode Initialisation mode Ci Newinstallation Restore from backup Location to restore from DAIUCLID backup a _2 b 5 _6 G_ B lt Back Next gt Cancel Init mode Click Next The wizard jumps to its last step where the importation of data is started as shown below Figure 4 5 Restoration from a backup Step 8 Activate imports WE First steps Start import procedure Confirm the start of the import procedure The import of the EC inventory and the Reference substance inventory is atime consuming process They run as background jobs Please do not log out from IUCLID 5 before the import confirmation pop up window appears Mote the duration of this import process depends onthe size of the import files It may take a considerable amount of time B 5 5 B G B lt Back Finish Cancel Activate imports The import may take some time Click Finish When the restoration is complete the following screen is shown Background job ended Ei Restore completed successfully 25 I
28. loading the following information to your IUCLID 5 instal lation For details see the IUCLID 5 End user Manual e EC Inventory e Inventory of Reference substances Although these uploads are optional it is strongly recommended to do them during the first run of the First steps wizard To do so you will need to have the data accessible to your computer whilst running this wizard 23 IUCLIDS The First steps wizard can be run at any time but only by the SuperUser This is done from the file menu within IUCLID 5 Administrative tools Initialise When starting the IUCLID 5 for the first time the only user available is an administrator named SuperUser Log in as SuperUser by entering the following case sensitive values into the login screen as shown below Username SuperUser Password root Note Do not click on the link Forgot your password if the First steps wizard is being run for the first time on this database This feature can work only after the wizard has been completed The use of the feature Forgot your password is explained later in this wizard at step 3 AC IUCLID 5 3 7 DER d t IUCLIDS PATERMATNOHAL UHIFORNH CHEPACAL IMPORPAATION CA TRE ESE Please enter username and password to login ilocal workstation passnora e000 O Login Cancel Forgot your password The First steps wizard then proceeds Each page of the wizard is described in a figure below Figure 4 2 Step 1 of the First s
29. me Environment 7 IUCLID 5 5 0 is compatible with Java 6 but the vendor Oracle recommends to uninstall Java SE 6 and then to install the latest update of Java 7 Various scenarios involving the use of IUCLID 5 Java 6 and Java 7 can be found in the IUCLID FAQ located at the IUCLID web site http iuclid eu e Database PostgreSQL 8 4 and 9 0 are supported but 9 0 is recommended or Oracle 10g or higher IUCLID 5 works with both PostgreSQL and Oracle therefore you need to chose which database to use and then use only that You do not need to install both PostgreSQL and Oracle The Oracle driver for Java is no longer supplied with the IUCLID 5 installation package The correct driver for the combination of Java and Oracle versions in use must be obtained from the Oracle web site and installed in the appropriate folder The most recent driver for your version of Oracle should work For example for Oracle 11g Release 2 11 2 0 2 0 the name of the driver is ojdbc6 jar For use with Tomcat the driver must be placed in Tomcat s library folder e g Tomcat lib IUCLIDS e A package for the installation of a standalone workstation version of IUCLID 5 can be downloaded without charge from the IUCLID web site e Once you have completed the installation of IUCLID 5 you should test it by starting and configuring it The con figuration requires access to at least a legal entity file LEOX The creation of a LEOX is described on the IUCLID web sit
30. mple C Program Files IUCLID5 Copy the directory workstation and all its contents into the installation directory 4 Transfer the required information from the existing configuration files to the versions supplied in the new installa tion See Section 2 3 Post installation configuration for more details Note that if the Oracle database is used the file workstation properties must contain the following entry h bernate connection driver_class oracle jJdbc OracleDriver The previous value was h bernate connection driver_class oracle jJdbc driver OracleDriver 5 If the database is an Oracle database please note that the driver for Java is no longer supplied with the IUCLID installation package The correct driver for the combination of Java and Oracle versions in use must be obtained from the Oracle web site and installed in the appropriate folder For example for Oracle 11g Release 2 11 2 0 2 0 the name of the driver is ojdbc6 jar 6 Copy any required plugins over from the old installation to the new one Alternatively obtain the latest versions from the IUCLID web site 20 IUCLIDS 7 A migration process is required to upgrade to IUCLID 5 5 Migrate the database by running the migration tool as described below This is a script that is supplied along with the installation package It makes changes to the database that are required for IUCLID 5 5 IUCLID 5 cannot be started until the migration tool has been run success
31. ncel Activate imports 30 IUCLIDS 4 3 User management The installation of IUCLID 5 is now ready for hand over to whoever will be maintaining the system and whoever will be managing the user accounts The management of user accounts and their roles is described in the IUCLID 5 User Manual 31 IUCLIDS Chapter 5 Un installation of IUCLID 5 The un installation of IUCLID 5 is a manual process IUCLID 5 can be un installed by deleting the files that were copied to the destination machine and reversing any changes made during the installation process For more details about the actions that might be required see the IUCLID FAQ located at the IUCLID web site http iuclid eu 32
32. nction that allows you to create your own inventory using common identifiers as selection criteria such as EC Number and IUPAC name Before importing the full set consider carefully whether it is really necessary Reference substances that are not imported during the initialisation process can be imported later A simple compromise is to start with the reduced list 28 IUCLIDS Figure 4 10 Step 7 of the First steps wizard Create user account and assign role Create a new user account and define its user access rights by assigning it a role It is essential to create a new user because general working within IUCLID 5 with the SuperUser is not supported Only one user can be created per run of the First steps wizard ME First steps Create user account and assign role It is recommended to create a user account before running IUCLIDS The SuperUser account is for user administration only and therefore to run IUCLID 5 we strongly recommend that you create your own user account by selecting the following tick box Assign your role and legal entity and specify the attachments and Import export directories Create user Login name Local Administrator Full name Example Password Set password a Expire password upon next login Unassigned roles i roles Full access Read only Set the password of Assigned legal entities Local Administrator Example last login Never from Nowhere Generate Attachments directory Importf
33. nning the file named 1uclid5 cmd that is supplied with the installation files It is convenient to create a shortcut that points to 1uc1l1d5 cmd and to attach the IUCLID 5 icon that is supplied with the installation files Figure 4 1 A shortcut to the IUCLID 5 application 7s IUCLID 5 5 0 4 2 First steps wizard When you start IUCLID 5 for the first time the First steps wizard is run automatically It guides you through the steps required to make a working user account and to upload the data required to use IUCLID 5 in a practical setting The settings that relate to user accounts can also be changed after having run the wizard using the features described in the IUCLID 5 End user Manual Important This wizard allows a single user account to be created per run This user is in addition to the SuperUser account that comes with the installation It is essential to have at least one user account in addition to SuperUser because SuperUser should be used only for the special tasks that only it can carry out See the IUCLID 5 End user Manual for more detail As part of the First steps wizard a legal entity must be uploaded into the IUCLID 5 installation in the form of a LEOX file Therefore before running this wizard make sure that a LEOX file for the legal entity of your company or organisation is accessible to your computer For more information see the IUCLID 5 End user Manual The First steps wizard provides the option of up
34. nt policy When a password is created it must conform to the current password policy y ntp If you want a use once password that is reasonably hard to guess and that definitely conforms to the password policy you can let IUCLID 5 make one for you by clicking on the button Generate It will be displayed in a new window for you to make a record of it On closing that window it will be automatically entered into the fields New password and Confirm new password Ticking the box Expire password upon next login forces whoever logs in to the account first to set their own password Click and highlight a role in the list of unassigned roles and assign it to the user by clicking the Right arrow Assigning a Role is needed to administrate the access permissions in a newly installed IUCLID 5 the roles Administrator Full access and Read only are provided by default y np It is recommended to create a user with the Administrator Role regardless of whether a stand alone or a distributed version of IUCLID 5 is set up Once a user has been created the IUCLID 5 administrator in case of a distributed version can define different other user s and assign different role s to them see the IUCLID 5 End user Manual Assign a Legal entity normally the Legal entity imported in the third step of this wizard by clicking the green plus button and performing a search for the desired Legal entity In the Query field Legal entity name enter the name of the desi
35. ords even if they are now considered to contain too few character sets The user manager can force a user to create a new password by ticking a box for the account in the IUCLID 5 client The user is then required to create a new password when they next log in 2 3 4 3 Security question This feature is designed to allow an alternative method of user authentication to the user name password combi nation It can help to reduce the resources required for user management by preventing account blocking due to forgotten passwords Each user can define their own security question and a secret answer This is done from the graphical user interface of the client after the user has logged in A user can log in by answering their question correctly instead of supplying the password The question is answered via a link on the log in page Forgot your password The feature is turned on or off for the whole instance of IUCLID 5 using a value of true or false 2 4 Quick guide to installation and configuration example for system administrators What follows is an example of a check list of the sequence of actions required to make a fresh installation of IUCLID 5 It assumes that the user has administrator rights to the installation machine and experience of system administration under Windows 1 Install the latest update of Java SE 7 JRE for your version of Windows available without charge within the limits of the license from the site www java com
36. ould be present in the new system Therefore it should be possible to log in to any of the user accounts from the previous system 21 IUCLIDS Figure 3 2 A shortcut to the IUCLID 5 application 3 2 Upgrading from IUCLID 5 2 x 5 3 x to IUCLID 9 9 0 To upgrade from IUCLID versions 5 2 x or 5 3 x unless the database contains a very large amount of data it is recommended to use the Backup and Restore features of IUCLID 5 to transfer the data from the old installation to a fresh installation of IUCLID 5 5 0 The Backup and Restore features are described in the IUCLID 5 End User Manual Making a fresh installation is described in this manual D Warning STOP The built in Backup functionality of IUCLID 5 3 1 is known to output files in which the user accounts cannot be used on restore If you wish to use the built in Backup functionality on data in an installation of IUCLID 5 3 1 first upgrade it to IUCLID 5 3 2 The built in Backup functionality in IUCLID 5 3 2 does not suffer from this problem As an alternative to using Backup and Restore into a fresh installation it is possible to perform step wise upgrades in which the database is migrated from IUCLID 5 2 x 5 3 x to 5 4 x to 5 5 0 For example this method might be required if the amount of data is so large that it makes use of the Backup feature impractical If you choose the migration method obtain the installation packages to perform the required upgrades and then proceed as per the
37. ows x64 exe The default fresh installation of PostgreSQL made using the one click installer automatically starts PostgreSQL as a service creates the user postgres if necessary and supplies administration tools e g pgAdmin III that can be used to manage databases If the installer creates the database superuser postgres you will have to enter a password for it into step 4 of the one click installer as shown in the sequence of figures below Remember this password because it will be required later during the configuration of IUCLID 5 If you are unsure of what values to enter into the one click installer use the pre filled defaults IUCLIDS Figure 2 5 Installer for PostgreSQL Setup PostgreSQL Welcome to the PostgreSQL Setup Wizard PostgreSQL Packaged by Enterprise The Enterprise PostgreSQL Compan Figure 2 6 Installation directory for PostgreSQL Please specify the directory where PostgreSQL will be installed Installation Directory C Program Files PostgreSQL 9 0 BitRock Installer IUCLIDS Figure 2 7 Data directory for PostgreSQL 1 Setup Data Directory Please select a directory under which to store your data Data Directory Program Files PostgreSQL 9 0 datal G BitRock Installer lt Back Next gt Cancel Figure 2 8 Password for the database superuser postgres and the Windows service account postgres Please provide a password for the database superuser postgres
38. red Legal entity or an asterisk as wildcard and click the Search button In the Query results list click the desired entry and then click the Assign button Optionally select default attachment and import export directories These settings can be changed at a later stage as described in the IUCLID 5 End user Manual Click the Next button Figure 4 11 Step 8 of the First steps wizard Start import procedure If you have selected an EC Inventory and or Reference substances inventory file s during the wizard steps you can now run the imports Click the button Execute imports Note again that these imports can take up to several hours depending on your machine speed and the amount of data you are importing Then click the button Finish If you have launched any imports you will now have to wait until the imports are completed Afterwards you should log out and then log in again as a user for the newly defined account Remember general working as SuperUser is not supported ME First steps Start import procedure Confirm the start of the import procedure The import of the EC inventory and the Reference substance inventory is atime consuming process They run as background jobs Please do not log out from IUCLID 5 before the import confirmation pop up window appears Note the duration of this import process depends onthe size of the import files It may take a considerable amount of time a H B H B EEA lt Back Finish J Ca
39. se Retrieving Databases details Done Enter the database name and owner We recommend using a name of 1uc11d followed by the version number for example 1uc11d550 Select the owner to be the value used in the previous step e g 1uc11d5 The encoding must be left at the default value of UTF8 Click OK Important O Make a note of the database name It is referred to later in the installation in Section 2 3 1 Database connection for PostgreSQL Figure 2 22 Enter the details of IUCLID 5 s database into pgAdmin Ill Bosas Name iucid 550 OID Owner Encoding Template Schema restriction Collation Character type Connection Limit 1 Database for IUCLID 5 Comment 14 IUCLIDS As you can see from the figure below there is now a new database named iuclid550 Figure 2 23 List of databases in pgAdmin Ill UF pgAdmin M File Edit Plugins View Tools Help C 1 0 SEE SR 2 Object browser 25 Properties Statistics Dependencies Dependents bs Server Groups B Servers 1 E j PostgreSQL 9 0 ocalhost 5432 I iudid 50 iudidS Database for IUCLID 5 a postgres postgres H Tablespaces 2 Ag Group Roles 0 H t Login Roles 2 Database Owner Comment Database iuclids5o DROP DATABASE iuclid550 ad wn Retrieving Database details Done You can now close pgAdmin lIl and move directly to the installation of IUCLID 5
40. sswords only when they are created Therefore if the minimum length of passwords is increased users can still log in using existing passwords even if they are now considered to be too short The user manager can force a user to create a new password by ticking a box for the account in the IUCLID 5 client The user is then required to create a new password when they next log in 2 3 4 2 Minimum number of character sets in passwords This feature is used to prevent the use of overly weak passwords for user accounts The password of a user account must contain at least one character from all the character sets The value is an integer from 1 to 4 A value of 1 means only character set 1 a value of 2 means both character sets 1 and 2 etc The four character sets are 1 a lowercase letter a z 2 an uppercase letter A Z 3 a digit 0 9 4 a non alphanumeric symbol amp _ For example if the value is 3 a password of AdkbScfw is rejected for being too weak but AdkbSc37 is accepted because it contains at least one character from sets 1 2 and 3 17 IUCLIDS If an attempt is made to create a password that does not comply an informative error message is given and the user is presented with an opportunity to try again The security policy is applied to passwords only when they are created Therefore if the minimum number of character sets allowed within passwords is increased users can still log in using existing passw
41. te otherwise this wizard will not complete successfully and you will be forced to log out Select your Legal entity file by navigating to the desired file on your computer 2 Please note If your Legal entity information has not already been stored on your computer you should create it on the IUCLID Select the import file D MUCLIDyLeox_Manual i5z a e e l E lt Back Next gt Cancel Import legal entity IUCLID 5 Import of the legal entity file completed L Important You must import at least one Legal entity in order to succeed with this wizard If you have no Legal entity in the IUCLID 5 system the traffic light in the wizard screen will be red The First steps wizard will be automatically launched when you log in to IUCLID 5 until a Legal entity has been successfully imported Figure 4 8 Step 5 of the First steps wizard Import EC Inventory EC inventory import To import the EC inventory select the file for the EC inventory see the IUCLID 5 End user Manual The EC Inventory will not be imported immediately The import will start at the end of the First steps wizard Depending on your machine speed and the size of the inventory this import can take some time e g up to half an hour ME First steps Import EC inventory Select the EC inventory file which you previously downloaded The EC inventory is the catalogue of chemical substances listed on the European Inventory of Existing Commercial chemical S
42. teps wizard Introduction The wizard presents some useful information There are no actions other than to read the information Click the Next button WE First steps Welcome to IUCLID 5 Welcome to IUCLID 5 IUCLID 5 International Uniform ChemicaL Information Database is a software application to capture store maintain and exchange data on intrinsic and hazard properties of chemical substances This wizard will guide you through the different steps involved to setting up your application so that you can use it immediately We recommend that you follow the given instructions Change the SuperUser password not mandatory but recommended to increase security Import your Legal Entity information mandatory for running the application 1 2 3 Import the EC inventory not mandatory but strongly recommended 4 Import the Reference substance inventory not mandatory but recommended for users with gt 100 substances 5 Create a user account and define roles strongly recommended IMPORTANT Before running this wizard please make sure your Legal Entity information has been stored on your PC information available at the IUCLID Download Website O o a m e a E Cancel Introduction 24 IUCLIDS Figure 4 3 Step 2 of the First steps wizard Init mode New installation To initialise a new database select the button New Instal 1lationas shown below and continue to the next step Define the initialisation mode Initia
43. ubstances EINECS the European List of Notified Chemical Substances ELINCS and the No Longer Polymers list NLP published in the Official Journal of the European Communities Each substance listed in the inventory has an EC number and an EC name allocated by the European Commission lf you want to use the EC inventory in your IUCLID 5 installation please download it from the IUCLID Download Website and save the file on your hard disk To import the EC inventory in IUCLID 5 using this wizard please tick the import box Select the import file by navigating to the desired file on your computer Note it is possible to import the EC inventory at a later stage using the import function from the IUCLID 5 Task panel Import EC inventory Select the import file DAIUCLIDYECinventory_1 1_enrn i5z a a_ _B b 5B 6 G _ B lt Back Next gt Cancel EC inventory import 21 IUCLIDS Figure 4 9 Step 6 of the First steps wizard Import reference substance inventory Reference substance inventory import Select the file for the Reference substance inventory see the IUCLID 5 End user Manual The Reference substance inventory will not be imported immediately The import will start at the end of the first steps wizard together with the EC Inventory import Depending on your machine speed and the size of the inventory this bulk operation may take a long time The import of the Reference substance inventory itself can take up to several
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