Comments (7)
No it's not an option. The reason it is italic is because people use labels other than R, for example W, Y and even B. Using italics allows us to visually distinguish these from tungsten, yttrium and boron.
Note if you want an abbreviation, e.g. -CO2H these will be plain font. We could add option for it but what is the use case, just you don't like it?
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Thank you very much for your reply. I want to generate the same picture as the literature, because in the literature, the substituents are plain fonts. The superscripts of substituents in the literature are sometimes in the lower right corner.
As you mentioned, the chemical structure pictures generated by the CDK for the above CONH2, CH3, etc. are all expanded, and I don’t know how to generate this.
I really want to know how to solve these problems. thank you very much.
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You can use Abbreviations API to contract functional groups.
Why do you want to generate the same picture as in the literature? Even including the ;
on the R2 label and the bent ketone bond? The super/subscript is purely a stylistic and not something I think is useful to control in CDK atm - these types of details are more akin to a sketcher (e.g. ChemDraw)
from depict.
Thank you for your reply. Not including the ; I added it by mistake. Because I want to generate the same picture as the literature to train the model, so the effect is better. Finally, I want to change by modifying the source code, but in the source code, I did not find where the settings for the substitute font are
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Okay - since this is a 1 off case I think it's best if you change your local version. You need to modify: StandardAtomGenerator.generatePseudoSymbol()
from depict.
I've add the following option:
depictgen = depictgen.withParam(StandardGenerator.PseudoFontStyle.class,
Font.PLAIN);
to configure this. The superscript vs subscript I've left for now.
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