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16.13 Molcart
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Molcart is an enterprise wide chemical management system. Compound databases of any size can be stored in MolCart and analyzed and searched using ICM cheminformatic tools.

16.13.1 Molcart Installation


In order to run MolCart it is necesary to install the FREE OPEN SOURCE MySQL database on your machine. Please see your systems administrator or see http://dev.mysql.com/downloads/

Linux Installation

Mysql: Check if mysql daemon is running :


/etc/init.d/mysql status
If you see that the MYSQL service is unused (not running), you need to start the mysql deamon. Become root and do the following:

/etc/init.d/mysql start

Download and install Molcart files.

The MolCart package is a self-extracting executable file.

Installation Instructions:

Mac Installation

System requirements: * Mac OS 10.3 * MySQL server for Mac OS 10.3

To install Molcart on the Mac just run this:

sudo /some/path/molcart-1.6-6-darwin.sh

16.13.2 Molcart Getting Started


To start Molcart

Tools/Connect Molcart

Once you have activated MolCart the loaded databases and users will be shown in the ICM Workspace as shown below.

All the records and fields contained within each database can be viewed by expanding the tree structure in the ICM Workspace.

16.13.3 Molcart Search


How to search the databases contained within MolCart

Click on the button shown below.

To begin processing your query first you need to decide which database to search. The options are listed in the "Data Source" section of the ICM chemical search window.

You can either search a local table (molecular table) or you can search MolCart.

If you select MolCart you first need to setup the link to the correct database - described earlier. Click on the button shown above (yellow pencil) and the Connect to Molcart window will be displayed as shown below.

See the Chemical Search section of this manual on the many different search procedures.

How to perform a text search

To perform a text search on one of the databases contained within Molcart you first need to index the text within the database and then search using the query option.

To make the database index, see text and picture below:

To perform the text search:

The options are:

To build your model:

The ICM Chemical Search query window will be displayed as shown below. Type your query text in the space provided and hit the enter key or click on the search button.

How to add conditions to your query

To remove a condition, right click on the filter and select 'Remove Filter'.

16.13.4 Molcart Administration


Edit Password

Add a New MolCart User - Root Only

Edit User Privileges - Root Only

Add a New Database

Add New Data to Database

Delete a Database or User


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