#============================================================*
#               test domain fitting and joining              *
#                                                            *
# use single residue and change CaM chain id                 *
#============================================================*

# read molecule
#--------------
database open name = neck format = pdb  file = ../data/neck_xform.pdb
molecule read  name = m1   database = neck

# create a some domains
#----------------------
domain create iq1 = C[760-788]A
domain iq1 backbone color = [ 1 0 0 ] show


# read molecule
#--------------
database open name = iq34 format = pdb  file = ../data/1N2D.pdb
molecule read  name = m2   database = iq34

# create a some domains
#----------------------
domain create iq3 = C[822-855]B
domain iq3 xform  translate = [ -2 0 0 ] 
domain iq3 backbone color = [ 0 0 1 ] show


# fit iq3 to iq1
#---------------
domain iq3 fit  sequence = C[825]               \
                destination = iq1               \
                destination_sequence = C[787]   \
                atom_names = { O C CA }         
domain iq3 backbone name = fit color = [ 0 1 0 ] width = 1 show


# joint iq3 to iq1
#-----------------
domain iq3  join  name = iq13                   \
                  residue = C[825]              \
                  destination = iq1             \
                  destination_residue = C[787]  \
                  chain_ids = { B=E }

domains write atoms list = { iq13 }  file = t4.pdb

domain iq13 xform  translate = [ 10 0 0 ] 
domain iq13 backbone color = [ 1 1 0 ] width = 2 show

graphics  center  domain = iq1