Difference between revisions of "Running GenMAPP Builder"

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These instructions assume that you are running GenMAPP Builder on the Windows XP Machines in the Seaver 120 computer lab.
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This tutorial will take you through all of the steps for running GenMAPP Builder for the first time.
  
== Download and Extract GenMAPP Builder ==
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== Pre-requisites ==
  
<!--* Go to the [http://sourceforge.net/projects/xmlpipedb/ XMLPipeDB SourceForge page] and download the latest version of GenMAPP Builder into the XMLPipeDB folder on the Desktop of the Keck Lab Windows Virtual Machine.-->
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This tutorial assumes that you are working in a Windows environment. While it is possible to run GenMAPP Builder under the Mac or Linux OS, the end product, a GenMAPP-compatible Gene Database (.gdb), can only be used with the GenMAPP program, which can only be run on Windows.
* [[Media:Gmbuilder-2.0b59_Seaver120.zip | Click on this link to download the latest version of GenMAPP Builder to your desktop.]]
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* Extract the files using the [http://www.7-zip.org/ 7-zip] utility which has been installed on these machines.
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To run GenMAPP Builder and perform quality control tests on the resulting GenMAPP Gene Database, you will need to set up your working environment with:
** Right-click on the file and select the menu item, 7-zip > Extract here.
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** Note that the native Windows unzip utility will not extract these files properly.
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# Any tool that can unpack .gz and .zip files
** WinZip will extract them, too, but 7-zip will be faster.
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#* We use [http://www.7-zip.org/ 7-zip]
 +
#* Note that we have found that the native Windows utility cannot reliably unpack .gz files or .zip files containing .jar files.  
 +
# [http://www.postgresql.org PostgreSQL] on Windows (http://www.enterprisedb.com/products-services-training/pgdownload)
 +
#* This tutorial was written using PostgreSQL 9.2.4.
 +
# GenMAPP Builder (https://sourceforge.net/projects/xmlpipedb/files/)
 +
#* Requires 32-bit Java JDK or JRE version 6 or higher (http://java.com/en/download/manual_v6.jsp)
 +
# GenMAPP 2 (http://genmapp.org)
 +
#* GenMAPP 2 is now called "GenMAPP Classic" and can be downloaded [http://www.genmapp.org/download_v2.1.php here].
 +
# XMLPipeDB ''match'' utility (https://sourceforge.net/projects/xmlpipedb/files/) for counting IDs in XML files
 +
# Microsoft Access or any other tool that can read .mdb files
  
 
== Download and Extract Data Source Files ==
 
== Download and Extract Data Source Files ==
  
* Download UniProt XML and GOA files from [http://www.ebi.ac.uk/integr8/ Integr8]
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* Download UniProt XML and GOA files.
** Browse to the page for your species.  For example, the [http://www.ebi.ac.uk/integr8/OrganismSelection.do?action=makeCurrent&proteomeId=46 ''Vibrio cholerae'' page].
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** Click the [http://www.ebi.ac.uk/integr8/FtpSearch.do?orgProteomeId=46 Download] link.
+
** Click to download the complete proteome set in XML format (save it to your Desktop).
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*** These files are updated on a monthly basis.  The date of the last update can be found on the [http://www.ebi.ac.uk/integr8/HelpAction.do?action=searchById&refId=5 current status] page.  Note the release versions for Integr8, UniProt, and InterPro, and the release date as version control for your group.
+
** Right-click on the link to download the GO annotations and select "Save target as" or "Save link as" and save the GOA file. 
+
*** Note:  Since the GOA file is a text file, your browser will not automatically download it when you left-click on the link.  Instead, it will try to open the file in your browser window.  Since it is a large file, this could take a long time if your internet connection is slow.
+
*** The version information can be found on the [http://www.ebi.ac.uk/GOA/ GOA] page under "GOA News".  Record the version information for "GOA Proteome Sets" and the date they were released for version control for your group.
+
* Download the GO OBO-XML formatted file from the [http://www.geneontology.org/GO.downloads.ontology.shtml Gene Ontology download page].  Click on the link for "obo-xml.gz"
+
** This file is uploaded daily, the time will be stated near the upper-right side of the page under "Current ontology statistics" as Pacific Standard Time (PST).  Note the version, date, and time listed there as version control for your group.
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* Extract the UniProt XML and GO OBO-XML .gz files.
+
** Right-click on the file and select the menu item 7-zip > Extract here.
+
  
== Create New Database in Postgres ==
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=== UniProt XML ===
  
* Launch PGAdmin III by going to Start menu > PostgreSQL 8.4 > pgAdmin III
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* Go to the [http://www.uniprot.org/taxonomy/complete-proteomes UniProt Complete Proteomes] page.
* Double-click on PostgreSQL 8.4 (localhost:5432) on the upper left hand side of the window.
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** Browse to the complete proteome download page for your species of interest.  For example, to get to ''Vibrio cholerae'' page, first click on the link to [http://www.uniprot.org/taxonomy/?query=complete:yes%20ancestor:2 "List all Bacteria"] under the Complete Proteome heading.
** This is the equivalent of connecting you to the server.
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** Click through the results until you get to [http://www.uniprot.org/taxonomy/?query=complete%3ayes+ancestor%3a2&offset=1600 this page].
** It will prompt you for a password. The password is: <code>Phe1oSer3Tyr4</code>
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** Click on the link for "complete proteome set" or complete reference set" for the organism of interest, e.g. [http://www.uniprot.org/uniprot/?query=organism:243277+keyword:1185 Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)].
* Right click on "Databases" and Select "New Database"
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** Click the orange [http://www.uniprot.org/uniprot/?query=organism%3a243277+keyword%3a1185&format=* Download] link in the upper right-hand corner of the page.
* Give the database a name in the "Name" field and click OK. You now need to tell the database what tables to have.
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** Click to download the complete proteome set in [http://www.uniprot.org/uniprot/?query=organism%3a243277+keyword%3a1185&force=yes&format=xml XML format] (make sure that you are saving it to your local hard drive).
* Click on your new database icon in the treeview on the left.
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*** Note: you also have the option to download the data in a compressed .gz formatClick on the [http://www.uniprot.org/uniprot/?query=organism%3a243277+keyword%3a1185&format=*&compress=yes compressed] link at the top of the page and then [http://www.uniprot.org/uniprot/?query=organism%3a243277+keyword%3a1185&compress=yes&format=xml click to download the complete proteome set].
* Go back to your gmbuilder-2.0b59 folder that you extracted to your DesktopOpen the folder called "sql".  ''Right click the file gmbuilder.sqlSelect the menu item "Open with" and choose the Notepad program.'' Select All and Copy all to the clipboard.
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<!--*** These files are updated on a monthly basisThe date of the last update can be found on the [http://www.ebi.ac.uk/integr8/HelpAction.do?action=searchById&refId=5 current status] page.  It is a good idea to note the release versions for Integr8, UniProt, and InterPro, and the release date as this is your original data source.-->
* Back in PGAdmin III, select your database so it is highlighted and then click on the SQL pencil icon.
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* ''You will see information in the upper panel (it is actually the SQL query that created the database).  Delete this information.'' Paste the gmbuilder.sql text into the upper panel.
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* Click the run icon which looks like a green arrow.
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* You should get a message like "Query returned successfully with no result in 15583 ms." This query now created all the tables in the database (although there is still no data in them).
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* Close the query window (you don't need to save the query because you have already run it).
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* To double check that all is OK, open the + signs for the database to see the number of tables, it should be 140 (it becomes 141 later, after you complete the ''Process GO Data'' step [[#Importing_Data_into_the_Postgres_Database|below]]).
+
  
== Importing Data into the Postgres Database ==
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=== GOA ===
  
* Launch GenMAPP Builder by double-clicking on the gmbuilder.bat file.
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* Go to the [http://www.ebi.ac.uk/GOA/downloads UniProt-GOA Downloads] page.
* Select File--> Configure Database
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** The current and previous UniProt-GOA files can be downloaded from the [ftp://ftp.ebi.ac.uk/pub/databases/GO/goa/ UniProt-GOA ftp site].
**  "Host or address" should be "localhost" (it should default to that).
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** In the directory that appears, click the link to the [ftp://ftp.ebi.ac.uk/pub/databases/GO/goa/proteomes/ "proteomes" directory].
** "Port Number" should be "5432" (it should default to that).
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** Find your organism of interest and right-click on the link to download the GO annotations and select "Save target as" or "Save link as" and save the GOA file. For example, [ftp://ftp.ebi.ac.uk/pub/databases/GO/goa/proteomes/46.V_cholerae_ATCC_39315.goa this is the link] for ''Vibrio cholerae''.
** "Database Name" should be the name of the database you created in pgAdmin III in the previous steps.
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*** Note:  Since the GOA file is a text file, your browser will not automatically download it when you left-click on the linkInstead, it will try to open the file in your browser windowSince it is a large file, this could take a long time if your internet connection is slow.
** "Username" is "postgres" (you will need to type this the first time).
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*** The version information can be found on displayed in the ftp file directory under the "Last modified" columnIt is a good idea to record the version information for "GOA Proteome Sets" and the date they were released as this is your original data source.
** "Password" is <code>Phe1oSer3Tyr4</code> (note that this is the same password you typed in pgAdmin III to connect to the database.
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* Click on the OK button.
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* Select File > Import UniProt XML...
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** Navigate to the UniProt XML file that you extracted previously (it should be on the Desktop) and click the Import button.
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** This should take about 5-7 minutes, record the time it took to import (the computer will report this to you when it is done).  
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* Select File > Import GO XML...
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** Navigate to the GO OBO-XML file that you extracted previously (it should be on the Desktop)Click the Import button.
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** This should take about 5-7 minutes, record the time it took to import (the computer will report this to you when it is done).
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* Click OK to the message asking you to process the GO dataThis should also take 5-7 minutes.  Record the time it took to process (the computer will report this to you when it is done).
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* Select File > Import GOA file...
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** Navigate to the .goa file that you downloaded (it should be on the Desktop) and click on the Import button.
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** This should take less than 1 minuteRecord the time ti took to import (the computer will report this to you when it is done).
+
  
== Exporting a GenMAPP Gene Database (.gdb) ==
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=== GO OBO-XML ===
  
* Select File > Export to GenMAPP...
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* Download the GO OBO-XML formatted file from the [http://www.geneontology.org/GO.downloads.ontology.shtml Gene Ontology download page]. Click on the link for "obo-xml.gz"
* Type a name in the Owner field (or else it won't let you export). Dr. Dionisio and I use "LMU Bioinformatics Group" and click Next.
+
** Note that Gene Ontology has announced that they are making changes to the page listed above and that users should use a [http://beta.geneontology.org/page/download-ontology beta page here.]
* Create GenMAPP Database: click on the Specify File button and accept the default folder and file name.  It will create the file in the export folder of your gmbuilder-2.0b59 folder.
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** This file is updated daily, the time used to be stated near the top of the page under "Current ontology statistics" as Pacific Standard Time (PST), although it does not appear to be there right nowYou can get the day/time file was created from the file properties after you have unzipped the file.
** Leave the radio button on "Full Database" and click the Next button.
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* Select "Move all" for both the upper and lower panels. Click Next.
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* A window will ask you to verify the system tables.  Clicking Next in this window starts the import process.
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** Record the starting and ending times from the black console window.  An export of the ''Vibrio cholerae'' Gene Database should take about 50-55 minutes.
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*** The progress bar that appears is not really accurateIt goes from 1% to 66% to 67% to 100%.  Just be patient.
+
  
== Complete a Gene Database Testing Report ==
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* Extract the UniProt XML and GO OBO-XML .gz files using [http://www.7-zip.org/ 7-zip] or other utility.
  
* [[Gene Database Testing Report Sample]]
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== Create New Database in PostgreSQL ==
  
<!--== Appendices: Computer Use Instructions ==
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NOTE: if you have already performed this step and want to use GenMAPP Builder functions with a database you previously created in PostgreSQL, you can skip this step.
  
The following instructions sets should help you with getting to Windows on the Keck lab computers.
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* Launch pgAdmin III.
 +
* Double-click on PostgreSQL 9.2 (localhost:5432) on the upper left hand side of the window.
 +
** This is the equivalent of connecting you to the server and you may be asked for a password at this point.
 +
* Right click on "Databases" and Select "New Database..."
 +
* Give the database a name in the "Name" field and click OK.
 +
* Click on your new database name in the treeview on the left.
 +
* Click on the SQL icon in the toolbar at the top of the window.
 +
** The SQL Editor tab will be open and there may be leftover query text in the upper pane.  Delete this text.  You are now going to use an XMLPipeDB query to create the tables in the database.
 +
* Click on the Open File icon in the toolbar (the yellow folder with an arrow).
 +
* Navigate to the folder in which you unzipped GenMAPP Builder.
 +
* Open the ''sql'' folder and open the file ''gmbuilder.sql''.  You should see SQL code appear in the SQL Editor tab.
 +
* Click the Execute Query icon which looks like a green "Play" triangle button.
 +
* You should get a series of NOTICE messages in the Messages tab at the bottom of the window, concluding with a message like "Query returned successfully with no result in 15583 ms" in the end.  This query now created all the tables in the database (although there is still no data in them).
 +
* Close the query window (you don't need to save the query because you have already run it).
 +
* To double check that all is OK, click the + sign for the database, then the + sign for Schemas, then finally the + sign for public.  Under the Tables section, you should see a count of 159 in parentheses.
  
=== Running Windows Directly on the Keck Lab Linux Machines ===
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== Configuring GenMAPP Builder to Connect to your PostgreSQL Database ==
  
For the Keck lab machines, which predominantly run Linux, instructions for running Windows are slightly different. In summary:
+
* Launch gmbuilder.bat (or gmbuilder-32bit.bat)
# Login ''not'' with your Keck lab account, but with username ''keckwindows'' and password ''keck''.
+
** If the program does not detect a database configuration, you will see a message window to this effect and the configuation dialog will open automatically once you close the message window. Otherwise:
# From the ''Applications'' menu in the menu bar at the top of the screen, go to ''System Tools'' then run ''Sun VirtualBox''.
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* Select the menu item File > Configure Database...
# On the window that appears, click on ''Start''.
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* Under the Database Connections tab the Database Driver defaults to PostgreSQL.  Enter information in the following fields:
# Finally on the Windows login, login as ''Keck Lab User'' with password ''keck''.
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** Host or address: localhost
 +
** Port number: 5432
 +
** Database name: <enter the name of the PostgreSQL database you created above>
 +
** Username: <enter the username of the PostgreSQL database you created above>
 +
** Password: <enter the password of the PostgreSQL database you created above>
 +
* Click the OK button.
  
To shut down/quit:
+
== Importing Data into the PostgreSQL Database ==
# Shut down Windows from the ''Start'' menu.
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# Close the ''Sun VirtualBox'' window.
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* Select File > Import UniProt XML...
# Logout of the Linux account as usual.
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** Navigate to the UniProt XML file that you extracted previously and click the Open button.
 +
** This should take about 5-10 minutes, but may take longer depending on the size of the file, processor speed, and available memory of the machine.  When the process has completed, record the elapsed time from the message window that appears.
 +
* Select File > Import GO OBO-XML...
 +
** Navigate to the GO OBO-XML file that you extracted previously.  Click the Open button.
 +
** This should take about 5-10 minutes, but may take longer depending on the size of the file, processor speed, and available memory of the machine.  When the process has completed, record the elapsed time from the message window that appears.
 +
* Click OK to the message asking you to process the GO data.
 +
** This should take about 5-10 minutes, but may take longer depending on the size of the file, processor speed, and available memory of the machine.  When the process has completed, record the elapsed time from the message window that appears.
 +
* Select File > Import GOA...
 +
** Navigate to the GOA file that you downloaded previously and click the Import button.  This process should only take a minute or so.
 +
 
 +
== Exporting a GenMAPP Gene Database (.gdb) ==
 +
 
 +
* Select File > Export to GenMAPP Gene Database...
 +
* Type a name in the Owner field (or else it won't let you export).
 +
* Create GenMAPP Database: click on the Specify File button and accept the default folder and file name. 
 +
* Select "Move all" for both the upper and lower panels. Click Next.
 +
* A window will ask you to verify the system tables.  Clicking Next in this window starts the import process.
 +
** Record the starting and ending times from the black console window.  This will take 1-2 hours for a typical bacterial genome, depending on the size of the database, the processor speed, and available memory.  Large eukaryotic genomes (like ''Arabidopsis thaliana'') or genomes with many GO annotations (like ''Saccharomyces cerevisiae'') can take much longer, in the range of 12-24 hours.  NOTE:  the progress bar is not accurate.
  
=== Running Windows Remotely from a Mac ===
+
== Checking the Quality of your Exported Gene Database ==
  
If you have access mainly to Macs, you can still connect remotely to a Keck lab machine if you have an Internet connection.  Do the following:
+
* It is a good idea to check the quality of your exported Gene Database to make sure that all of the data from the XML files made it into the PostgreSQL database and was then exported to the GenMAPP Gene Database. We have created a [[Gene Database Testing Template]] to help guide you through this process.
# First, take note of a machine name in the Keck lab (they are labeled, so drop by sometime and note the name) &mdash; for these instructions, suppose that the name is ''rayner''.
+
# Run the ''Terminal'' application, located in the ''Utilities'' folder inside the ''Applications'' folder.
+
# Type the command: <pre>ssh -X keckwindows@rayner.cs.lmu.edu</pre> Note the machine name ''rayner'' &mdash; this may be different depending on the machine you want to use.
+
# When you reach the command line, type: <pre>VirtualBox</pre>
+
# The ''Sun VirtualBox'' window should now appear on your Mac.
+
# From this point on, you can follow the instructions from step 3 onward in the previous section.
+
# When you’ve closed the ''Sun VirtualBox'' window, you can logout from ''Terminal'', and you can quit the ''X11'' application that appeared on your Mac.
+
-->
+

Revision as of 16:09, 17 October 2013

This tutorial will take you through all of the steps for running GenMAPP Builder for the first time.

Contents

Pre-requisites

This tutorial assumes that you are working in a Windows environment. While it is possible to run GenMAPP Builder under the Mac or Linux OS, the end product, a GenMAPP-compatible Gene Database (.gdb), can only be used with the GenMAPP program, which can only be run on Windows.

To run GenMAPP Builder and perform quality control tests on the resulting GenMAPP Gene Database, you will need to set up your working environment with:

  1. Any tool that can unpack .gz and .zip files
    • We use 7-zip
    • Note that we have found that the native Windows utility cannot reliably unpack .gz files or .zip files containing .jar files.
  2. PostgreSQL on Windows (http://www.enterprisedb.com/products-services-training/pgdownload)
    • This tutorial was written using PostgreSQL 9.2.4.
  3. GenMAPP Builder (https://sourceforge.net/projects/xmlpipedb/files/)
  4. GenMAPP 2 (http://genmapp.org)
    • GenMAPP 2 is now called "GenMAPP Classic" and can be downloaded here.
  5. XMLPipeDB match utility (https://sourceforge.net/projects/xmlpipedb/files/) for counting IDs in XML files
  6. Microsoft Access or any other tool that can read .mdb files

Download and Extract Data Source Files

  • Download UniProt XML and GOA files.

UniProt XML

GOA

  • Go to the UniProt-GOA Downloads page.
    • The current and previous UniProt-GOA files can be downloaded from the UniProt-GOA ftp site.
    • In the directory that appears, click the link to the "proteomes" directory.
    • Find your organism of interest and right-click on the link to download the GO annotations and select "Save target as" or "Save link as" and save the GOA file. For example, this is the link for Vibrio cholerae.
      • Note: Since the GOA file is a text file, your browser will not automatically download it when you left-click on the link. Instead, it will try to open the file in your browser window. Since it is a large file, this could take a long time if your internet connection is slow.
      • The version information can be found on displayed in the ftp file directory under the "Last modified" column. It is a good idea to record the version information for "GOA Proteome Sets" and the date they were released as this is your original data source.

GO OBO-XML

  • Download the GO OBO-XML formatted file from the Gene Ontology download page. Click on the link for "obo-xml.gz"
    • Note that Gene Ontology has announced that they are making changes to the page listed above and that users should use a beta page here.
    • This file is updated daily, the time used to be stated near the top of the page under "Current ontology statistics" as Pacific Standard Time (PST), although it does not appear to be there right now. You can get the day/time file was created from the file properties after you have unzipped the file.
  • Extract the UniProt XML and GO OBO-XML .gz files using 7-zip or other utility.

Create New Database in PostgreSQL

NOTE: if you have already performed this step and want to use GenMAPP Builder functions with a database you previously created in PostgreSQL, you can skip this step.

  • Launch pgAdmin III.
  • Double-click on PostgreSQL 9.2 (localhost:5432) on the upper left hand side of the window.
    • This is the equivalent of connecting you to the server and you may be asked for a password at this point.
  • Right click on "Databases" and Select "New Database..."
  • Give the database a name in the "Name" field and click OK.
  • Click on your new database name in the treeview on the left.
  • Click on the SQL icon in the toolbar at the top of the window.
    • The SQL Editor tab will be open and there may be leftover query text in the upper pane. Delete this text. You are now going to use an XMLPipeDB query to create the tables in the database.
  • Click on the Open File icon in the toolbar (the yellow folder with an arrow).
  • Navigate to the folder in which you unzipped GenMAPP Builder.
  • Open the sql folder and open the file gmbuilder.sql. You should see SQL code appear in the SQL Editor tab.
  • Click the Execute Query icon which looks like a green "Play" triangle button.
  • You should get a series of NOTICE messages in the Messages tab at the bottom of the window, concluding with a message like "Query returned successfully with no result in 15583 ms" in the end. This query now created all the tables in the database (although there is still no data in them).
  • Close the query window (you don't need to save the query because you have already run it).
  • To double check that all is OK, click the + sign for the database, then the + sign for Schemas, then finally the + sign for public. Under the Tables section, you should see a count of 159 in parentheses.

Configuring GenMAPP Builder to Connect to your PostgreSQL Database

  • Launch gmbuilder.bat (or gmbuilder-32bit.bat)
    • If the program does not detect a database configuration, you will see a message window to this effect and the configuation dialog will open automatically once you close the message window. Otherwise:
  • Select the menu item File > Configure Database...
  • Under the Database Connections tab the Database Driver defaults to PostgreSQL. Enter information in the following fields:
    • Host or address: localhost
    • Port number: 5432
    • Database name: <enter the name of the PostgreSQL database you created above>
    • Username: <enter the username of the PostgreSQL database you created above>
    • Password: <enter the password of the PostgreSQL database you created above>
  • Click the OK button.

Importing Data into the PostgreSQL Database

  • Select File > Import UniProt XML...
    • Navigate to the UniProt XML file that you extracted previously and click the Open button.
    • This should take about 5-10 minutes, but may take longer depending on the size of the file, processor speed, and available memory of the machine. When the process has completed, record the elapsed time from the message window that appears.
  • Select File > Import GO OBO-XML...
    • Navigate to the GO OBO-XML file that you extracted previously. Click the Open button.
    • This should take about 5-10 minutes, but may take longer depending on the size of the file, processor speed, and available memory of the machine. When the process has completed, record the elapsed time from the message window that appears.
  • Click OK to the message asking you to process the GO data.
    • This should take about 5-10 minutes, but may take longer depending on the size of the file, processor speed, and available memory of the machine. When the process has completed, record the elapsed time from the message window that appears.
  • Select File > Import GOA...
    • Navigate to the GOA file that you downloaded previously and click the Import button. This process should only take a minute or so.

Exporting a GenMAPP Gene Database (.gdb)

  • Select File > Export to GenMAPP Gene Database...
  • Type a name in the Owner field (or else it won't let you export).
  • Create GenMAPP Database: click on the Specify File button and accept the default folder and file name.
  • Select "Move all" for both the upper and lower panels. Click Next.
  • A window will ask you to verify the system tables. Clicking Next in this window starts the import process.
    • Record the starting and ending times from the black console window. This will take 1-2 hours for a typical bacterial genome, depending on the size of the database, the processor speed, and available memory. Large eukaryotic genomes (like Arabidopsis thaliana) or genomes with many GO annotations (like Saccharomyces cerevisiae) can take much longer, in the range of 12-24 hours. NOTE: the progress bar is not accurate.

Checking the Quality of your Exported Gene Database

  • It is a good idea to check the quality of your exported Gene Database to make sure that all of the data from the XML files made it into the PostgreSQL database and was then exported to the GenMAPP Gene Database. We have created a Gene Database Testing Template to help guide you through this process.
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