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