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

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

# read molecule
molecule read  name = m1   database = neck
molecule m1 xform translation = [ -12 -4 0 ] rotation = [ 60 0 -55 ]
#molecule m1 xform translation = [ -12 -4 0 ] rotation = [ 10 0 -45 ]

# create a some domains
#----------------------
domain create d1 = ABC[760-814]
domain d1 backbone color = [ 0.7 0 0 ] width = 2 show

# open pdb file
database open name = head format = pdb  file = ../data/1W7I.pdb
molecule read  name = m2   database = head
molecule m2 xform rotation = [ 55 0 0 ]
#molecule m2 xform rotation = [ 100 0 120 ]
domain create head = A
domain head backbone color = [ 0 0.7 0 ] width = 2 show


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

domain d1 fit  sequence = C[760-763]                \
                destination = head                  \
                destination_sequence = A[760-763]   \
                atom_names = { CA }         

domain d1 backbone name = fit color = [ 0.7 0 0 ] width = 2 show

domains write atoms list = { head }  chains = { A[5-760]=C } file = fit.pdb
domains append atoms list = { d1 }  chains = { C[761-814] A B } file = fit.pdb

graphics background color = [ 1 1 1 ]