Structure Data File
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| − | { | + | {{FormatInfo |
| − | | | + | |formattype=electronic |
| − | | | + | |subcat=Scientific Data formats |
| − | | | + | |subcat2=Chemical data |
| − | | | + | |extensions={{ext|sdf}}, {{ext|sd}} |
| − | | | + | |wikidata={{wikidata|Q28530510}} |
| − | | | + | |mimetypes= |
| − | | | + | {{mimetype|chemical/x-mdl-sdfile}} |
| − | | | + | }} |
| − | | Structure Data File | + | The '''Structure Data File''' is one of several scientific data file formats known as [[SDF]]. It is a component of the [[CTab]] format for chemical and molecular data originally created by [https://en.wikipedia.org/wiki/MDL_Information_Systems MDL Information Systems (MDL)]. For more detail, see CTab. |
| − | + | ||
| − | == | + | == Specification == |
| − | The | + | |
| + | The current maintainer, BIOVIA, a company owned by Dassault Systèmes, publishes a specification for all its chemical table file formats, including SDF: [https://discover.3ds.com/sites/default/files/2020-08/biovia_ctfileformats_2020.pdf CTFile Formats]. | ||
| + | |||
| + | == Identification == | ||
| + | |||
| + | SDF files are a concatenation of [[MOL]] files, each of them separated by a new line and the pattern '$$$$'. Consequently, SDF files end with the hexadecimal pattern '(0D|0A|0D0A)24242424' | ||
| + | |||
| + | == Sample Files == | ||
| + | |||
| + | * Sample SDF files can be downloaded from the [https://lifechemicals.com/downloads Life Chemicals website] - requires registration to a free account. | ||
| + | * More Sample Files [https://otavachemicals.com/sdf OTAVA chemicals] | ||
Latest revision as of 13:59, 21 August 2026
The Structure Data File is one of several scientific data file formats known as SDF. It is a component of the CTab format for chemical and molecular data originally created by MDL Information Systems (MDL). For more detail, see CTab.
[edit] Specification
The current maintainer, BIOVIA, a company owned by Dassault Systèmes, publishes a specification for all its chemical table file formats, including SDF: CTFile Formats.
[edit] Identification
SDF files are a concatenation of MOL files, each of them separated by a new line and the pattern '$$$$'. Consequently, SDF files end with the hexadecimal pattern '(0D|0A|0D0A)24242424'
[edit] Sample Files
- Sample SDF files can be downloaded from the Life Chemicals website - requires registration to a free account.
- More Sample Files OTAVA chemicals
