Conversion

Zero to two option flag select boxes and zero to two sets of option flag check boxes may be displayed, depending on the conversion and the degree of completion of the database. Further information may be displayed underneath the select boxes if available. One or more input or output flags may be selected if required (command click [Mac] or control click [Windows] for multiple select box selections). To undo all selections in a box, click just underneath the final option. Ticking a check box reveals a text box for entry of required information, along with further explanation if available.

Read (input) option flags requiring further information (select all required):

Write (output) option flags requiring further information (select all required):

If 2- or 3-dimensional atomic coordinates need to be calculated (e.g., if they do not already exist in the input file), select '2D' or '3D' and a speed/accuracy option ('fastest' is least accurate). Note that this calculation is not appropriate for all file formats, so in these cases selections will be ignored. Click on 'Choose file' and then select an input file of the correct format (and extension). Clicking on 'Convert' uploads and converts the file. The output file is automatically downloaded, along with a log file. If any issues are encountered (e.g., the output file does not download), please click on 'Provide Feedback' in the navigation bar.


2D 3D neither


fastest fast medium better best

Enforce file naming checking to ensure uploaded files (and files contained in archives) all have the correct extension
Also download log file for the conversion
Select file to convert: