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How to enhance chemical structures display in a report as PDF

Member for

5 years 8 months tconvard

Hi,

I generated a report containing a table where one column contains chemical structures.

In the "Data to Report" node, I selected the PNG output format.

Initially I do not checked "Use custom image scaling", but when running the report in PDF, the structures were very small.

So I decided to check "Use custom image scaling" and tried different values for the image size, to finally choose 250 X 250 (with bigger values, the chemical structures are only partially visible in the column of the report).

Now the size of the chemical structures in the table are correct, but the quality of the images is not good, there is a fuzziness for bonds and atoms.

I definitely need a PDF report, so is there any possibility to enhance the quality of the chemical structures images ?

In the same way is there any specific parameter to adjust to have the chemical structure image automatically adjusting to the size of the column ?

Thank you in advance for your help.

Comments
Mon, 02/26/2018 - 12:12

Member for

6 years 7 months

gcincilla

Hi tconvart,

I usually use a custom image scaling of 500 x 500 for chemical structures. That results in well defined image. Then, in order to avoid that only one part of the chemical structure is visible in the report, I play with the width of the image in the report (i.e. "Property Editor - Image" tab -> "Properties" -> "General" ). If you want to maintain the X-Y proportions of the image, you should play only with 1 property: width or height.

Hope that helps,

Gio

Tue, 02/27/2018 - 08:21

Member for

5 years 8 months

tconvard

Hi Gio,

thank you very much, it works very nicely. Maybe just a question, as you mentioned, to have homothetic resizing of the image I just modify the width. In my case I used % (rather than in, cm pixels or what ever). I started with 50% and the result was nice, then I tried 80% and it was nice too. And I finally tried 100% and it was also nice. Surprising, isn't it! If I do not put anything to resize the image, I see only a part of it, if I put 100% I see the whole image. The result is good, but I do not understand the way of working of this parameter. Any idea ?

Best regards.

Thierry

Tue, 02/27/2018 - 08:53

Member for

6 years 7 months

gcincilla

Hi Thierry,

Unfortunately I don't know how it works the resizing mechanism when you use percentages. Maybe someone else can clarify this?

I usually work with "cm" units as this gives me the idea of the real size in the final pdf document. Anyway it's a subjective choice.

Cheers,

Gio