That should work for the moment, thanks Bernhard! I can’t use it with mutate_residue_range because there is no single letter code, but I can loop through all residues in a range sequentially and mutate to ala and then set the residue name, so that works fine.
I would still ultimately favor making it a standard residue with three letter code UNK and single letter code X - it allows for easy specification of ambiguity, and it is the PDB-sanctioned way of representing an amino acid of unknown identity. I would also suggest being able to set this as the default type for new residues - it allows easy recognition of amino acids that are as yet unassigned, and avoids confusion with alanine. Cheers, Oliver. > On Jun 27, 2015, at 8:44 AM, Bernhard Lohkamp <bernhard.lohk...@ki.se> wrote: > > > How about using: > > set_residue_name(int imol, const char *chain_id, int res_no, const char > *ins_code, const char *new_residue_name) > > B > > On 26/06/2015 18:36, Oliver Clarke wrote: >> Hi all, >> >> Would it be possible to add "UNK" to the list of standard residues one can >> mutate to? Currently mutate doesn't seem to work using "UNK" as the target >> res type, and I would like to add it to a function for mutating a residue >> range to poly-UNK. >> >> This is useful where one has a structure containing regions that have >> assignable sequence, and regions where the sequence register is unclear, so >> as to differentiate the two. >> >> Cheers, >> Oliver. >> > > -- > *************************************************** > > Dr. Bernhard Lohkamp > Associate Professor/Docent > Div. Molecular Structural Biology > Dept. of Medical Biochemistry and Biophysics (MBB) > Karolinska Institutet > S-17177 Stockholm > Sweden > > phone: (+46) 08-52487651 > fax: (+46) 08-327626 > email: bernhard.lohk...@ki.se > > --- > This email has been checked for viruses by Avast antivirus software. > https://www.avast.com/antivirus >
