Tuesday, 17th January 2012

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 modeling programs prefer the identifer 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.

Important note:

This feature requires pdbread and pdbwrite from the MATLAB Bioinformatics Toolbox

About Morgan Bye

Scientist, programmer and all around techie

Category

EPR toolbox