# Purpose: To create cis-peptide bond stereochemical restraints # # Input : RESIDUE_IDS (1 entry) (integer of the preceeding residue) # # Output : cis-Pro restraints are added to the list. # # Note : you must have done the STEREOCHEMICAL restraints already. # # Example (cis-peptide between residues 4 and 5): # # CALL ROUTINE = 'cispeptide', ATOM_IDS1 = 'O:4' 'C:4' 'N:5' 'CA:5', ; # ATOM_IDS2 = 'CA:4' 'C:4' 'N:5' 'CA:5' # SUBROUTINE ROUTINE = 'cispeptide' DELETE_RESTRAINT ATOM_IDS = ATOM_IDS1 ADD_RESTRAINT RESTRAINT_PARAMETERS = 3 1 3 3 4 2 0 3.141593 0.087 DELETE_RESTRAINT ATOM_IDS = ATOM_IDS2 ADD_RESTRAINT RESTRAINT_PARAMETERS = 3 1 3 3 4 2 0 0.0 0.087 RETURN END_SUBROUTINE