Exporting Graphics

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The CrystalExplorer Manual
The Hirshfeld Surface
Disordered Structures
Properties of the Hirshfeld Surface
Other Surfaces in CrystalExplorer
Crystal Voids and Void Surfaces
Fingerprint Plots
Intermolecular Interaction Energies
Energy Frameworks
Lattice Energies
Exporting Graphics
Computational Chemistry with TONTO
Further Reading


Saving Views from the Main Window

The most effective way to save a graphics view from the main window is to use the screen-grab option appropriate to your operating system. For best reproduction use Scale on the bottom toolbox bar to maximise the size of your image on your screen.

Saving Fingerprint Plots

The best way to save fingerprint plots is as PostScript (*.eps), which reproduce much better in manuscripts. It helps if you have the font Lucida Sans (if you don't have that font the de and di text will look strange) then you should manually edit the .eps file and replace the font with something you do have, such as Helvetica.

PostScript fingerprints also include a custom title, that you will be asked to set when you save the plot. This custom title includes the percentage of the surface included in a decomposed fingerprint.

You can also save the fingerprint plot as a PNG image, which is necessary if you wish to include the fingerprint plot in a POV-Ray image.

Saving POV-Ray or VRML Images

Because of the many difficulties associated with exporting these formats, CrystalExplorer17 does not allow for the export of POV-Ray or VRML image formats.

General Hints

  • Removing the white background. When presenting a talk or poster on a non-white background, it is preferable to remove the background from your saved graphics. However, if you save an image with a white background, it is difficult to remove the background in a tool such as Adobe Photoshop or The Gimp because parts of the white hydrogen atoms will also be removed. A better method is to change the background to a non-white light colour (cream works for us) before saving the graphics. Then, you can easily select the background colour using a magic wand tool and remove it to leave an image with a transparent background.
  • A Postscript fingerprint plot can be converted to transparent PNG images using Adobe Illustrator or The Gimp, and most likely other tools that handle Postscript graphics. Apple Keynote and some other presentation tools (but not PowerPoint) enable direct insertion or Postscript of PDF images, and Apple Keynote has an especially good magic wand tool for removing backgrounds in presentations.

A Note on Colours

Surfaces and fingerprint plots are saved in the RGB colour-scheme used by computer displays. The solid colours, and particularly solid green and blue, don't always convert well to the CMYK scheme used in printed journals. The quality of the conversion is highly dependent on the individual journal, whether you perform the conversion yourself submit the RGB graphics and allow the journal editors to convert the colours, and so on.

Some journals will convert RGB images to CMYK, and some will not. RGB images look better on screen, while CMYK images normally print better.

We have had variable results, and we make no suggestions as to the best way to proceed. We just warn you to take care and be wary of bad colour conversion when inspecting proofs.

Tip: A useful tutorial is available on converting RGB images to CMYK to minimise the conversion errors.