Name To Structure¶

Use nameToStructure¶

Converting to structure using nameToStructure method

names = ["methane", "butene",
         "3-ethyl-octane", "3,5-diethyl-octane",
         "3-(2,4-dimethyl-pentyl)-octane", "cyclooctane",
         "3-methyl-5-ethyl-cyclooctane", "cyclododeca-1,3,5,7,9,11-hexaene"]

array = indigo.createArray()
for n in names:
    mol = indigo.nameToStructure(n)
    mol.layout()
    mol.setProperty("grid-comment", n)
    array.arrayAdd(mol)

indigo.setOption("render-grid-title-property", "grid-comment")
indigo.setOption("render-grid-margins", "20, 10")
indigo.setOption("render-grid-title-offset", "5")

indigoRenderer.renderGridToFile(array, None, 2, 'result.png')

../../_images/indigorenderer_863263b92b3f49faadb8f7599c15b7a6510eb0c1.svg

Use loadMolecule¶

Converting to structure using loadMolecule method (automatic detection)

names = ["8-thia-2,4,6-trisiladecane", "C[SiH2]C[SiH2]C[SiH2]CSCC"]

array = indigo.createArray()
for n in names:
    mol = indigo.loadMolecule(n)
    mol.layout()
    mol.setProperty("grid-comment", n)
    array.arrayAdd(mol)

indigo.setOption("render-grid-title-property", "grid-comment")
indigo.setOption("render-grid-margins", "20, 10")
indigo.setOption("render-grid-title-offset", "5")

indigoRenderer.renderGridToFile(array, None, 2, 'result.png')

../../_images/indigorenderer_e49f8cb71d69f1726a88c41ad770ad4584080551.svg