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Glossary and Format Restrictions
The following terms are used throughout this document.
- Record Type Indicator (RTI) - A printable ASCII string with an at sign (@) in column 1, terminated by an end of line. It is used to indicate the type of data which follows in a .mol2 file.
- Data Line - A printable ascii string terminated by an end of line. Lines may be continued with a back slash (\) and may not begin with `@' or `#'.
- Data Record - A data record consists of one or more data lines.
- Field - An item of interest in a data record. May be a string, integer, or a real. Fields are usually separated by spaces or tabs.
- Section - A section of a .mol2 file. A section begins with an RTI and is terminated by another RTI or end of file. Data records within a section all have the same format.
- String - A collection of printable ASCII characters containing no white space.
- Comment - A printable ascii string beginning with a hash or pound sign (#) in column 1 and terminated by end of line. Comment lines may not be continued.
- White Space - Tabs, spaces, or any combination of the two.
- Blank Line - Any line containing only white spaces. These are ignored by the MOL2 command.
- **** - Used to indicate that a non-optional string field is empty.
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