Create Your Own Databases
The simplest way to create a database is using DATABASE, see
Adding Data with DATABASE.
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.
- 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: These 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:
glycine.elt and
glycine.txt.
Format of the database files: