translate_aminoacids

input

<p>Type "1" results in single-letter, type "2" in three-letter code.</p>

switchMode

<p>Converts an aminoacid naming scheme in the context of GROMOS (e.g. containing HISH) into canonical three- or one-letter codes.</p>

aminoacids

Provides automatization for plot generation succeeding common molecular dynamics analyses.
This includes straightforward plots, such as RMSD (Root-Mean-Square-Deviation) and
RMSF (Root-Mean-Square-Fluctuation) but also more sophisticated ones such as
dihedral angle maps, hydrogen bonds, cluster bar plots and
DSSP (Definition of Secondary Structure of Proteins) analysis. Currently able to load
GROMOS, GROMACS and AMBER formats, respectively.

State of Data and AI Literacy Report 2025

translate_aminoacids: Function to translate between canonical and GROMOS amino acid abbreviations

Description

Usage

Arguments

Examples