Eva María Priego wrote: > I need to build models of a protien with a disulphide bond beetween > monomers, four cis Proline and an aditional helix. I am using Modller > 7v7. ... > The problem is the models obtained don't fit this script, I mean, none > of them have the alpha helix and none have the four correct cis proline( > or have more residues in cis) but they have the disulphide bond.What am > I doing wrong?.
You should put all of your commands to create special restraints within one 'special_restraints' routine. If you define the routine multiple times, only the last definition will take effect. You should probably use something like the following instead:
SUBROUTINE ROUTINE = 'special_restraints' SET ADD_RESTRAINTS = 'on' MAKE_RESTRAINTS RESTRAINT_TYPE = 'alpha', RESIDUE_IDS = '127:' '149:' MAKE_RESTRAINTS RESTRAINT_TYPE = 'alpha', RESIDUE_IDS = '284:' '306:' CALL ROUTINE = 'cispeptide', ; ATOM_IDS1 = 'O:101' 'C:101' 'N:102' 'CA:102', ; ATOM_IDS2 = 'CA:101' 'C:101' 'N:102' 'CA:102' CALL ROUTINE = 'cispeptide', ; ATOM_IDS1 = 'O:103' 'C:103' 'N:104' 'CA:104', ; ATOM_IDS2 = 'CA:103' 'C:103' 'N:104' 'CA:104' (etc.) RETURN END_SUBROUTINE
Ben Webb, Modeller Caretaker