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
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