|MIME type: chemical/x-mol2|
Tripos MOL2 molecule model files.
Used in cheminformatics applications and on the web for storing and exchanging 3D molecule models.
Native format of the SYBYL cheminformatics application.
Plain text tabular format.
Represents a single chemical compound or multiple chemical compounds.
Stores atomic coordinates, chemical bond information, and metadata.
|"Elements"||list of elements and options available in this file|
|"Rules"||full list of rules for each element and option|
|"Options"||list of rules for options, properties, and settings|
|"Graphics3D"||3D renderings of all molecule models stored in the file|
|"Graphics3D", n||3D renderings of the nth molecule|
|"StructureDiagram"||2D structure formula of all molecule models|
|"EdgeRules"||connectivity data, given as a list of lists of rules|
|"EdgeTypes"||bond types, as a list of lists of strings|
|"VertexCoordinates"||atomic coordinates, typically given in picometers|
|"VertexTypes"||all atoms or groups constituting the molecule, typically given as a list of chemical element abbreviations|
|"PartialCharges"||electric charges of the atoms given as a list of reals|
|"Residues"||residue sequences, as a list of lists of three-letter abbreviations|
|"Sequence"||residue sequences given as a list of strings|
|"ResidueAtoms"||list of lists of residue atoms|
|"ResidueCoordinates"||3D coordinates of residue atoms|
|"ResidueCharges"||charges of the atoms given by "ResidueAtoms"|
|ImageSize||Automatic||specifies the overall size of the graphics to display|
|Background||White||specifies what background color to use|
|ViewPoint||Automatic||point in space from which the 3D model is to be viewed|
Show the Import elements available in a MOL2 file:
This creates a MOL2 file from the previous output (the default value for the residue name is "Unk", the default atom charge is 0):