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Currently, all non-protein moieties will be removed from the input structure
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Damietta protein design toolkit
The Damietta Toolkit aims to provide a unified resource that integrates different protein design and modeling tools. The core of the Toolkit is based on a physics-based design engine that combines the advantages of speed, generalizability and self-consistent scoring.
Please select residues of interest from the 3D view or the protein sequence. Then, set whether to repack or to mutate those residues, and which mutations you would like to apply.
Note: repacking/mutating of first and last residues is not supported by the current Damietta version.
Damietta protocols:
Sampler options (only for cs and sd protocols)
Parameters for ΔG calculation
❌
Perform OpenMM minimization of your protein. Running large numbers of iterations on large proteins is very computationally expensive. If your runs keep failing, try a lower iteration count.
OpenMM iteration count (max. 10000 iterations per run)
Hectortest
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Residue ID:
Atomname:
Residue ID:
Atomname:
Some of the inputs seem to be missing or incorrect. A more useful description of the error will be added in a later version.
❌ log probabilites substracted by the log probability of any (X) aminoacid