OpenersPrimaryExamplesSection(Spacer1)Examples  (2)

OpenersExampleSection0(Spacer1)Basic Examples  (2)

Show the (RefLink[Import, paclet:ref/Import]) elements available in a MOL file:

Import["ExampleData/aspirin.mol","Elements"]

Import a 3D molecule model as a (RefLink[Molecule, paclet:ref/Molecule]):

Import["ExampleData/aspirin.mol"]

The coordinates from the file are contained in the expression under the (RefLink[AtomCoordinates, paclet:ref/AtomCoordinates]) option:

Options[%]

When importing a molfile that contains a 2D representation of a molecule, the coordinates are stored in the expression under the (RefLink[AtomDiagramCoordinates, paclet:ref/AtomDiagramCoordinates]) option:

m=Import[ "ExampleData/fluoxetine.mol"]

Options[m]

This creates a molfile from the previous output:

ExportString[ m, "MOL"]

({{DocumentationFooterIconsRelatedFunction.png, ({{See Also}, {Related Formats:  (RefLink[FASTA, paclet:ref/format/FASTA])  ▪  (RefLink[FASTQ, paclet:ref/format/FASTQ])  ▪  (RefLink[PDB, paclet:ref/format/PDB])  ▪  (RefLink[SDF, paclet:ref/format/SDF])  ▪  (RefLink[XYZ, paclet:ref/format/XYZ])  ▪  (RefLink[HIN, paclet:ref/format/HIN])  ▪  (RefLink[JCAMP-DX, paclet:ref/format/JCAMP-DX])  ▪  (RefLink[SFF, paclet:ref/format/SFF])  ▪  (RefLink[FCS, paclet:ref/format/FCS])}})}})

({{DocumentationFooterIconsRelatedGuide.png, ({{Related Guides}, {▪(RefLinkPlain[3D Geometry & Modeling Formats, paclet:guide/3DGeometryAndModelingFormats])}, {▪(RefLinkPlain[Importing & Exporting, paclet:guide/ImportingAndExporting])}, {▪(RefLinkPlain[Listing of All Formats, paclet:guide/ListingOfAllFormats])}, {▪(RefLinkPlain[Scientific & Medical Data Formats, paclet:guide/ScientificAndMedicalDataFormats])}})}})