Re: [modeller_usage] Metal ions

Joel Tyndall wrote: > Hi message board, > > I have been trying to include a zinc atom in my model based on the same > ion in the template but I just can't crack it. I have attached all > relevant files and log file. I am using mod8v2. > > INCLUDE > SET ALNFILE = 'hpv_16_e6_Nterm_2fk4.ali' > SET KNOWNS = '2fk4' > SET SEQUENCE = 'hpv_16_Nterm_e6' > SET STARTING_MODEL = 1 > SET ENDING_MODEL = 5 > CALL ROUTINE = 'model' > SET HETATM_IO = on

You need to set HETATM_IO to on _before_ you call the 'model' routine. Otherwise, everything looks OK. You may have better luck with a BLK ('.') residue in your alignment rather than z though, as they are treated slightly differently.

Ben Webb, Modeller Caretaker