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MDL SDfiles
Details
Synonyms SDF
Extension(s) .sd, .sdf
Type

Chemical file format

Associated software
Viewers
Openers
Editors
Editors
Text editors, ADSV, Avogadro, MarvinSketch and PyMOL.
Further information
Wikipedia

Structure data file

Release date
Initial

< 1992[1]

MDL SDfiles are files related to MDL Molfiles the major difference is that they are especially useful at depicting a molecule's 3D structure. They can depict 2D structure to, but they usually make everything explicit (showing hydrogens and all). Compared to PDB files they have the advantage of giving information about bond type (e.g., they contain details about whether a bond is singledouble or triple in nature), but the disadvantage of making no distinction between small molecules and macromolecules (like proteins and nucleic acid-based structures like DNA or RNA). So in summary they are best reserved for depicting the 3D structure of small molecules

Reference listEdit

  1. Dalby, A; Nourse, JG; Hounshell, WD; Gushurst, AKI; Grier, DL; Leland, BA; Laufer, J (1 May 1992). "Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited". Journal of Chemical Information and Modeling 32 (3): 244–255. doi:10.1021/ci00007a012. 

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