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How to Perform point mutations with NCAA

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How to Perform point mutations with NCAA

Hello Everyone,

I am trying to mutate multiple residues of a peptide with NCAA to determine their structure and ΔΔG of mutation on Rosetta. 

I would be grateful if anyone could share any research article, material or guidance to proceed on this matter.


P.S. - I am a beginner at Rosetta without any bacl ground in coding or bioinformatics. Any help and advice is appreciated.


Post Situation: 
Tue, 2021-06-22 02:05
Subhrodeep Saha

The simplest thing would be to use the MutateResidue mover in RosettaScripts (

For DDG values, I think the ddg_monomer application ( will work if you do the following.  Note that I haven't tested this, though:

1. Add a packer palette that includes your noncanonical using the -packer_palette:extra_base_type_file commandline option.  (See
2. Provide a resfile that specifies the noncanonical using the "X" notation.  (See  For example, to introduce a mutation to D-ornithine at position 37, it would be:

Thu, 2021-06-24 13:23