R1A to CYM
Traditionally the MTSL spin label bound to a Cysteine residue (Cys) is given the residue code R1A, at least in crystallography structures.
However, some computer modelling programs prefer the identifier CYM. To switch between the two I’ve created this MATLAB script.
Using a GUI interface the user can use a local PDB or download straight from pdb.org and decide to swap from R1A to CYM or CYM to R1A.
If neither a R1A residue or CYM is found then the user is messaged.
This feature requires
pdbwrite from the MATLAB Bioinformatics Toolbox
This page previously appeared on morganbye.net[^1][^2][^3]