Molinspiration Depiction

Molinspiration Depiction software allows generation of high-quality molecule images in png format from a Daylight SMILES string or MDL Molfile. The program may be used to generate images of molecules in various cheminformatics web services.

The program is started by a command:

java -jar depiction.jar -smi 'smiles' | -f file [-options] > image.png

where the 'file' is a MDL Molfile or a file containing single SMILES string

Options are used to set-up various image parameter:

-x imageWidth -y imageHeight determine size of the image

-bw black-and-white image will be generated

-blackbg image with black background will be generated

-border a border around image will be rendered

-text 'infoText' text information will be added to the image

-cg common functional groups will be collapsed (useful when rendering large complex molecules) -new when rendering molecule from Molfile new geometry will be generated from connectivity (otherwise 2D coordinates from the source Molfile are used)

Standard depiction
Parameter -bw used
Parameter -blackbg used
Parameter -cg used (collapse groups)

But the Molinspiration Depictor is able to process also larger molecules, including complex natural products. See depiction of Cyanovirin from SMILES string below as an extreme example.

Contact Molinspiration for more information about the Molinspiration Depiction software.

		Standard depiction
		Parameter -bw used
		Parameter -blackbg used
		Parameter -cg used (collapse groups)