Developing chemicalinventory

1. MySQL to hold the data (Many other databases can most likely be used but in that case you need to edit the way we communicate with the database - another JDBC driver)
2. A mysql-connector-java driver to be able to communicate with teh database from the javabeans
3. Tomcat as servlet container (Again you might make it work with other tools but we have only used Tomcat).
4. JAVA. You need a J2SDK in order to load the servlet container and to compile the .java files if/when you edit them.
5. The JChem JAVA library and the Marvin applets from ChemAxon (www.chemaxon.com). The library handles the registration of and searching in the structures and the applets gives us the structure drawing tools. You can get a free academia license to all these tools if you ....yes if you are academia!

Platform support All the above mentioned tools are available on a large number of platforms so in theory chemicalInventory should run on all of them, but we cannot be sure. We have had the system running on Mac OS X, Linux (Debian, RedHat, Slackware) and Windows so there is a fair chance that your OS will work as well.

MySql Install and setup your MySql database and make sure it is working. Create a user who will own the chemicalInventory tables. The default is:

schema name = chemicals
user name = chemicals
password = chemicals

Give the user privileges to the chemicals database.

The name of the database to use, is specified in two places. - Under tomcat/conf/server.xml (see tomcat setup) and under tomcat/webapps/chemicalinventory/configuration/CIConfiguration.txt (see tomcat setup).
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WE RECOMMEND THAT YOU CHANGE THE DEFAULT VALUES,
BUT REMEMBER TO ALSO DO IT IN THE CODE
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Run the sql script shipped with chemicalInventory in order to setup the required tables. The script will also setup the structure tables required by the JChem library.

A default user "SYS" with password "user1" is created.

Tomcat Install and setup Tomcat and make sure it is running (that you see the default Welcome page in a webbrowser).

Copy (and rename) the chemicalInventory.war file you downloaded into the Tomcat webapps directory. Should look something like this:

/where_ever_your_tomcat_is_located/webapps/chemicalinventory.war

Copy the content in /chemicalinventory/text/CI_context_tomcat5.txt (For tomcat 5) or /chemicalinventory/text/CI_context_tomcat5.txt (For tomcat 4.1) to the server.xml file placed in /where_ever_your_tomcat_is_located/conf/server.xml.

Restart the Tomcat server and point your webbrowser to:
http://serverip:port/chemicalinventory

This will unpack the chemicalinventory.war file and give you a chemicalinventory directory:
/where_ever_your_tomcat_is_located/webapps/chemicalinventory

Modify the chemicalinventory configuration file located under /where_ever_your_tomcat_is_located/webapps/chemicalinventory/WEB-INF/configuration/CIconfiguration.txt with values relevant for your setup.

mysql-connector-java After Tomcat has unpacked the war file a recomended version of the mysql connecter can be found: Tomcat/webapps/chemicalinventory/text/mysql-connector-java-3.1.12-bin.jar.

Copy mysql-connector to /wherever_your_tomcat_is_located/common/lib.

JChem library and the Marvin applets The chemicalinventory is bundled with JChem version 3.1.6 and the marvin applets. The default licence   is 1 (=one) structure search pr. minute. Contact www.chemaxon.com for further licence privileges.    

The JChemProperties table The sql script we ship also generates the JChemProperties table, but it is empty so you need to add values in order for the structure searches to work. This is also the place where you have to enter your license code.
You can read more about the JChemProperties table and the values on the jchem homepage.