massShift

This function calculates the mass difference of peptides introduced by chemical modifications or heavy isotope labelling.

Includes functions to calculate several physicochemical properties and indices for amino-acid sequences as well as to read and plot 'XVG' output files from the 'GROMACS' molecular dynamics package.

Daniel Osorio

Peptides

Calculate Indices and Theoretical Physicochemical Properties of
Protein Sequences

Paola Rondon-Villarreal

Rodrigo Torres

J. Sebastian Paez

Luis Pedro Coelho

Richèl J.C. Bilderbeek

Florian C. Sigloch

massShift function

<dl><dt>seq</dt>
<dd>An amino-acids sequence, in one letter code.</dd>
<dt>label</dt>
<dd>Set a predefined heavy isotope label. Accepts "none", "silac_13c", "silac_13c15n" and "15n". Overwrites input in <code>aaShift</code>.</dd>
<dt>aaShift</dt>
<dd>Define the mass difference in Dalton of given amino acids as a named vector. 
Use the amino acid one letter code as names and the mass shift in Dalton as values. 
N-terminal and C-terminal modifications can be defined by using "Nterm =" and "Cterm =", respectively.</dd>
<dt>monoisotopic</dt>
<dd>A logical value <code>'TRUE'</code> or <code>'FALSE'</code> indicating if monoisotopic weights of amino-acids should be used</dd></dl>

Arguments

Calculate the mass difference of modified peptides. — massShift

<dl>

<dt>seq</dt>
<dd>An amino-acids sequence, in one letter code.</dd>


<dt>label</dt>
<dd>Set a predefined heavy isotope label. Accepts "none", "silac_13c", "silac_13c15n" and "15n". Overwrites input in <code>aaShift</code>.</dd>


<dt>aaShift</dt>
<dd>Define the mass difference in Dalton of given amino acids as a named vector. 
Use the amino acid one letter code as names and the mass shift in Dalton as values. 
N-terminal and C-terminal modifications can be defined by using "Nterm =" and "Cterm =", respectively.</dd>


<dt>monoisotopic</dt>
<dd>A logical value <code>'TRUE'</code> or <code>'FALSE'</code> indicating if monoisotopic weights of amino-acids should be used</dd>

</dl>

massShift: Calculate the mass difference of modified peptides.

Description

Usage

Arguments

Examples