Your one-stop shop for file format conversion, PSDI's Data Conversion Service enables users to seamlessly
convert between different file formats and assess the quality of proposed conversions. This is the
web version of our service. To find out more about Data
Conversion and our other tools, click
here.
Format and Converter Selection
Select formats for conversion
Select "from" and "to" file formats in the "Convert from/to" boxes, in either order. Typing where indicated
filters the options (case insensitive); for example, typing "can" or "NON" reduces the number of options to one:
"can: Canonical SMILES."
When converting multiple files with, say, extension cif within an archive (e.g., .zip), select "cif:
Crystallographic Information File." Conversion of archives of files is enabled only for logged-in users, and
archives of types .tar, .tar.gz, .tar.xz, and .tar.bz are supported.
If you change your mind about a conversion, click the "Reset" button.
When both formats have been selected, converters able to carry out this conversion appear in the
"Conversion options" box along with an indication of conversion quality (many conversions not yet
tested) and whether or not the converter is supported on this site.
Select a converter
Selecting a converter displays information
about it, along with a link to a relevant website. Selecting a supported converter affords the opportunity to
carry out a conversion on this site. Clicking on the "Yes" button takes us to the "Conversion" page.
If a file format has not been found, or if there are no converters capable of carrying out a required
conversion, please click on "Report Missing Format/Conversion" in the navigation bar.
Conversion
Open Babel
Select flags and options for the file formats
One or more input or output flags may be selected if required (hold command [Mac] or CTRL [Windows]
to select multiple options; and use command+click [Mac] or CTRL+click [Windows] to unselect an option).
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.
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.
Select coordinate generation mode
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.
Upload the file and run the conversion
Click on "Choose file" and then select an input file of the correct format (and extension). The file size limit
depends on whether or not you are logged in, with logged-in users allowed a greater file size. Clicking
on "Convert" uploads and converts the file. The output file is automatically downloaded, along with a log file if
this option is ticked.
If any issues are encountered (e.g., the output file does not download), please click on "Provide Feedback" in
the navigation bar.
If you have sensitive data you might prefer to use one of our downloadable tools or
Python library rather than uploading your data to our service.
Atomsk and c2x
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 this option
is ticked.
If any issues are
encountered (e.g., the output file does not download), please click on "Provide Feedback" in the navigation bar.
If you have sensitive data you might prefer to use one of our downloadable tools or
Python library rather than uploading your data to our service.
Report Missing Format/Conversion
Select the type of report (missing file format or conversion) and then follow the
instructions that appear.
Finally, click on "Report."
Alternatively, you may wish to see if your needs can be met by Datatractor.
Provide feedback
To report issues other than missing formats or conversions, please click on the "Feedback form" link. The form
will open in a new tab.
Accessibility
Select accessibility settings as required to find a setup you like. Once the appearance of the page is
satisfactory, click on the "Save" button to apply the settings to the entire website. This saves the settings in
a cookie on your device which is only used for this purpose and does not store any personal data.
The colour options here are not compatible with the light-mode/dark-mode toggle in the header bar. This toggle
switches between default light- and dark-mode themes. If neither of these is suitable for you, the button that
will appear on the Accessibility page can be used to restore control to the settings there.
About
PSDI Data Conversion service
Public web service mode -
Production build
Version: v0.3.12
Project source: https://github.com/PSDI-UK/psdi-data-conversion
