Peptide import and export options

Import options

Codename

Explanation

--peptide <string>

The string is a valid one or three letter sequence.

Example:

  • convert a one-letter sequence to a molfile:

    molconvert --peptide FFKMLL mol -o peptide.mol

Export options

Codename

Explanation

peptide:3

Using this option the output will be a three-letter sequence.

Examples:

  • convert SMILES representation to a three-letter sequence

    molconvert peptide:3 -s "[H]NCC(=O)NC(C)C(=O)NCC(O)=O"
  • convert one-letter sequence to a three-letter sequence

    molconvert --peptide GAG peptide:3

peptide:1

One-letter peptide sequence option.

Example:

  • convert the SMILES string to a one-letter sequence

    molconvert peptide:1 -s "[H]NCC(=O)NC(C)C(=O)NCC(O)=O"