ESI.Theoretical: ESI-MS library construction for metal-binding protein

In ManuelPerisDiaz/CysMpro: Mass Spectrometry-Based Structural Analysis of Metalloproteins

Description

Generates a theoretical ESI-MS library for a particular metal binding protein selecting the desired metal ion, metal ion stoichiometry and adducts.

Usage

ESI.Theoretical(
  sequence,
  Metal = c("Zn"),
  NbindingMetal,
  Maxcharge,
  Adduct = c("NH4")
)

Arguments

sequence	Protein sequence.
Metal	Metal ion to include in the calculation of the MS library.
NbindingMetal	Number of expected metal ions binding to the protein. Default to 7.
Maxcharge	Maximum charge expected for adduct considered. Default to 6.
Adduct	Adduct for library generation.

Value

ESI-MS library for metal-binding protein.

Examples

## Not run: 
MT2a<-("MDPNCSCAAGDSCTCAGSCKCKECKCTSCKKSCCSCCPVGCAKCAQGCICKGASDKCSCCA")
Theoretical.esi<-ESI.Theoretical(MT2a, Metal=c("Zn"), NbindingMetal = 7,Maxcharge=6,Adduct=c("Na"))

## End(Not run)

ManuelPerisDiaz/CysMpro documentation built on Oct. 18, 2020, 6:44 a.m.