Residue labels
A residue label file is a mapping from residue identifiers used in a structure-file or an MD topology to
a generic but unique label that serves the users needs. For example, the following file will map fully
generic chain:resname:resid amino acid-identifiers to a more compact single-letter identifier
where the chain is implied.
A:GLU:1 E1
A:ARG:2 R2
A:VAL:3 V3
A:ARG:4 R4
...
The purpose of this is to make the output of getcontacts-scripts more readable. This applies when generating flareplots, or, as in the following example, for fingerprint heatmaps.
Preparing a residue label file requires a bit of work, but once generated it can be reused both when generating residue frequency files [example 1] and for generating flareplots [example 2]. Additionally, we've pre-generated generic labels for several classes of proteins:
To download all selected label files paste the following into a terminal: