#============================================================*
#               test domain transformation                   *
#                                                            *
# rotate using pca.                                          *
#============================================================*

# 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 iq1 = AC[760-788]
domain iq1 backbone color = [ 1 0 0 ] width = 1 show

domain create iq2 = BC[788-814]
domain iq2 backbone color = [ 0 1 0 ] width = 1 show
domain create iq2c = C[788-814]

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

domain create iq3C = C[814-836]
domain iq3C pca  show=true 

domain create iq3x = DC[814-836]


# rotate about pca axis 1
#------------------------
domain iq3x xform  use_pca = true  pca_domain = iq2   \
                   pca_res = C  atom_names = { CA }   \
                   pca_axis = 1  angle = 45 

domain iq3x backbone color = [ 1 1 0 ] width = 1 show