#============================================================*
#               test domain fitting and joining              *
#                                                            *
# using several residues.                                    *
#============================================================*

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

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

# create a some domains
#----------------------
domain create iq1p = C[760-798]A
domain iq1p xform  translate = [ -8 0 0 ]  rotation = [ 0 50 0 ]
domain iq1p backbone color = [ 1 0 0 ] width = 3 show

domain create iq1 = C[760-798]A
domain iq1 xform  rotate = [ 0 50 0]
domain iq1 backbone color = [ 1 0 0 ] width = 3 show

domain create iq3 = C[810-840]D
domain iq3 xform  translate = [ -8 0 0 ]  rotate = [ 0 20 0 ]
domain iq3 backbone color = [ 0 1 0 ] width = 3 show


# fit iq3 to iq1
#---------------
domain iq3 fit  sequence = C[815-816]               \
                destination = iq1                   \
                destination_sequence = C[793-794]   \
                atom_names = { O C CA }         
#domain iq3 bonds name = fit color = [ 1 1 1 ] width = 3 show
domain iq3 backbone name = fit color = [ 0 1 0 ] width = 3 show


# joint iq3 to iq1
#-----------------
domain iq3  join  name = iq13          \
                  residue = C[815]     \
                  destination = iq1    \
                  destination_residue = C[793]

domains write atoms list = { iq13 }  file = t1.pdb

domain iq13 xform  translate = [ 8 0 0 ] 
domain iq13 backbone color = [ 1 0 0 ] width = 3 show

graphics  center  domain = iq1
graphics  background color  = [ 1 1 1 ]