#============================================================*
#               test domain fitting                          *
#============================================================*

# open pdb file
#---------------
database open name = neck_xform format = pdb file = ../data/neck_xform.pdb

# read molecule
#---------------
molecule read database = neck_xform  name = m1 

# create a some domains
#----------------------
domain create iq1 = AC[760-788]
domain iq1 backbone color = [ 1 0 0 ] width = 2 show

domain create iq2 = BC[788-814]
domain iq2 backbone color = [ 0 1 0 ] width = 2 show

domain create iq3 = DC[814-836]
domain iq3 backbone color = [ 0 0 1 ] width = 2 show

domain create hc = C


# fit iq1 to iq2
#---------------

domain iq1 fit  sequence = A[1-3]               \
                destination = iq3                 \
                destination_sequence = D[3-5]   \
                atom_names = { O C CA }            \
                rotation = on                      \
                copy = iq1Fit 

domain iq1Fit backbone name = fit color = [ 1 1 1 ] width = 3 show
#domain iq1Fit xform translation = [ 0 10 0 ]