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modeling cis-proline

Hello-

I just wanted to make sure the below script looks correct for telling
modeller to make a certain proline (in my case, residue 10) in the
cis-conformation.

I've seen a few ways of either doing it directly (as below) or making a
constraint file after the fact (or before?).

I tried to use the below script, and I'm not sure if it's doing it
correctly (so I wanted to check to see if the script was OK).

Thanks for your input,
Doug Kojetin


##################################################
model-cis.top
##################################################
INCLUDE
SET ALNFILE = 'beta4_1be9_align.ali'
SET KNOWNS = '1be9'
SET SEQUENCE = 'beta4'
SET STARTING_MODEL = 10
SET ENDING_MODEL = 15

CALL ROUTINE = 'model'

SUBROUTINE ROUTINE = 'special_restraints'
 CALL ROUTINE = 'cispeptide', ATOM_IDS1 =  'O:10' 'C:10' 'N:11' 'CA:11',;
                              ATOM_IDS2 = 'CA:10' 'C:10' 'N:11' 'CA:11'
 RETURN
END_SUBROUTINE