Calculate Indices and Theoretical Physicochemical Properties of Protein Sequences
Compute the amino acid composition of a protein sequence
Compute 66 descriptors for each amino acid of a protein sequence.
Return a vector with the 20 standard amino acids in upper case
Create Smiles String from aminoacid sequences
Compute the aliphatic index of a protein sequence
Compute the auto-correlation index of a protein sequence
Compute the auto-covariance index of a protein sequence
Compute the BLOSUM62 derived indices of a protein sequence
Compute the Boman (Potential Protein Interaction) index
Compute the theoretical net charge of a protein sequence
Compute the cross-covariance index of a protein sequence
Compute the Cruciani properties of a protein sequence
Compute the FASGAI vectors of a protein sequence
Compute the hydrophobic moment of a protein sequence
Compute the hydrophobicity index of a protein sequence
Compute the instability index of a protein sequence
Compute the Kidera factors of a protein sequence
Compute the amino acid length of a protein sequence
Calculate the mass difference of modified peptides.
Compute theoretically the class of a protein sequence
Compute the MS-WHIM scores of a protein sequence
Compute the molecular weight of a protein sequence
Calculate the m/z for peptides.
Compute the isoelectic point (pI) of a protein sequence
Plot time series from GROMACS XVG files
Compute the protFP descriptors of a protein sequence
Read output data from a XVG format file.
Compute the ST-scales of a protein sequence
Compute the T-scales of a protein sequence
Compute the VHSE-scales of a protein sequence
Compute the Z-scales of a protein sequence
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.