NOTE: CIF files typically contain quotes, so to properly create JavaScript strings with quotes that match the construction quotes, be sure to escape the inner quotes by placing a backslash before each of them. to get the data, use superCell.molecule and superCell.unitCell, same for unitCell Let superCell = ChemDoodle.readCIF(cifFile, 1, 2, 3)
read the CIF data into a 1x2x3 supercell Let unitCell = ChemDoodle.readCIF(cifFile) read the CIF data into a 1x1x1 basis unit cell print the CIF file to a JavaScript variable The readCIF() function can also take 3 additional parameters to define the dimensions of the supercell. Then use the ChemDoodle.readCIF() function to generate the chemical data structure and unit cell shape. Just as described on the loading data page, CIF data can be included as a JavaScript variable with all returns replaced by "\n" character pairs. There are a two methods for loading CIF files:ฤก. The ChemDoodle Web Components library contains a class for handling CIF files, so this data can be easily utilized.
A popular file format for periodic data, is the Crystallographic Information File (CIF). The ChemDoodle Web Components library can handle periodic data.