Possible Marvin bug displaying custom AAs

Hello,

We are having a small problem with Marvin. We have a set of custom amino acids defined in our custom amino_acids.dict file. Two examples are X(Aib) and X(Aha).

We make a call to MSketchpane.setMol (String mol, "peptide") to change the structure displayed by the sketchpane.

If we make the following calls:

"AKLX(Aib)"

"AKLX"

"AKLX(Aha)"

then after the third call the sequence shown is "Ala-Lys-Leu-X(Aib)" rather than "Ala-Lys-Leu-X(Aha)"

This looks like a bug?

 

Thanks,

Tim Mowlem

Hi Tim,

Could you please send us the custom_aminoacids.dict file? If you do not want to share it on the forum, please send me directly by email. Thank you.

Best regerds,

Akos

Hi Tim,

Thanks for the dictionary. This problem will be solved in the next Marvin version (5.4.1).

Best regards,

Rita