compounds
Differences
This shows you the differences between two versions of the page.
Next revision | Previous revision | ||
compounds [2023/11/20 15:48] – created shankar | compounds [2024/03/22 12:08] (current) – shankar | ||
---|---|---|---|
Line 1: | Line 1: | ||
====== Compounds====== | ====== Compounds====== | ||
- | From enviPath Wiki | + | In enviPath, a compound object stores the structure of a chemical compound. Compounds are assigned to [[packages|Packages]], compounds with equal structure exist only once in each package. Therefore, a compound is identified by its canonical [[http:// |
- | Jump to navigation Jump to search | + | |
- | In enviPath, a compound object stores the structure of a chemical compound. Compounds are assigned to Packages, compounds with equal structure exist only once in each package. Therefore, a compound is identified by its canoncial | + | |
===== Available compounds===== | ===== Available compounds===== | ||
- | A list of all available compounds is provided | + | A list of all available compounds is provided |
===== Creating compounds ===== | ===== Creating compounds ===== | ||
- | * Compounds can be created manually by drawing the structure with the Ketcher chemical structure editor or by providing the structure as SMILES or Molfile. | + | * Compounds can be created manually by drawing the structure with the [[https:// |
- | * Alternatively, | + | * Alternatively, |
- | * | + | |
- | Retrieved from " | + | |
compounds.1700495333.txt.gz · Last modified: 2023/11/20 15:48 by shankar