Hi! Just a list of atoms with type or element set to SE should do it. (Note that your heavy atom program may not have allocated the atom type).
Having said that, the heavy atom info biases the sequencing to try and get MET/MSE in the right place, but if the sequence doesn't want to fit it won't force it. That can be a result of tracing errors. Kevin On 1 December 2013 19:00, Francis Reyes <francis.re...@colorado.edu> wrote: > Hi all, > > Is there a special format (residue naming, atom naming, etc) for the heavy > atom file to assist buccaneer with sequence assignment? The one I have now > seems to be returning structures that do not have SeMet at these locations. > > Thanks > > F > > > > --------------------------------------------- > Francis E. Reyes PhD > 215 UCB > University of Colorado at Boulder > -- EMAIL DISCLAIMER: http://www.york.ac.uk/docs/disclaimer/email.htm
