DATABASE / Databases

Create Your Own Databases

You might need to add data to supplement the database files supplied with the DATABASE program.

The simplest way to create your own database is using the DATABASE program, see Adding Data with DATABASE.

The program DataMaintenance may also be used to create or edit databases, as well as to check for common input mistakes.

Because databases are plain text files, you can also use a text editor to create databases. A database consists of two files:

• A logK-file includes stoichiometry and logK values for reactions.
  • a file named “References.txt” may be create with a list of references (optional).
• An elements-file has information on which components should be listed under a given chemical element. For example, one might add a new ligand: glycinate, which should be listed under the element carbon. The program has no way of knowing this unless you enter the information in the element-file.

File Names: The two files (the logK-file and the element-file) are plain text files and must have the same name but different extensions: ELT for the element-file, and either of: TXT, SKV, or CSV for the logK-file. For example, a database could consists of the two files: lactate.elt  and lactate.txt.

Format of the database files:

• logK-files
  • References
• element files

 Databases