Peptide Generation plugin

Plugins
1

Hello
On trying to use the peptide generation plugin in version 1.99.0 I had no results. I first noticed that there were error messages in the terminal from where i initiated the program. On comparing to the results of CLI script run_pyPept.py I concluded that the secondary structure (SS) must be given for each amino acid. Looking ar the peptide_generation.py I see that only a single SS code is being passed. I have corrected this but still there were no resulting peptide in the Avogadro GUI. Analyzing the file standardize.py from other plugin (avogadro-rdkit) I managed to solve the problem. I attach the result of my efforts hoping it can be useful.
peptide_generation.py (3.2 KB)

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2

Thanks, that’s a help. Do you find the plugin useful now?

I’ll see about merging your changes into the GitHub version. Do you have a GitHub account to give you credit?

3

Yes I think that now it is useful as it directly interfaces with Avogadro GUI.
My GiHub account username is pjgcoutinho

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