In this example file, a molecule is read in, and then rotated and translated to the correct position for structure factor calculation.

!
! Input file name: como4.inp
!
title Structure factor calculation for four 3eca monomers
!
print como4.prt
polar xzk
euler zyz
ortho axabz 
!
crystal
   cell   76.700   96.100  111.300  90.00  97.10  90.00 P 21          8  3ECA 310
   fobs 3eca.cal
   format 3i4, f8.2, 8x, f8.2
   frejection 1.0 1.0 0.
   resolution 20 3.5
   symm p21
   end
!
model 
   bover 25                                      ! assign overall B value
   input 3ecam.pdb                               ! read in PDB file
   center                                        ! center model at 0 0 0 
!
   duplicate 1 2                                 ! duplicate molecule
   duplicate 1 3                                 ! duplicate molecule
   duplicate 1 4                                 ! duplicate molecule
!
   rotate 257.750   26.000  264.875 euler        ! rotate molecule
   translate 0.3281    0.0000    0.1146 df       ! translate molecule
   add 1000                                      ! add 1000 to residue number
   flag t                                        ! assign flag, known orientation and position
   swap 1 2                                      ! swap molecule information
!
   rotate 251.812   32.000  259.562 e            ! rotate new molecule
   translate 0.8750    0.5000    0.6198  df      ! translate molecule
   flag t                                        ! assign flag
   chain c                                       ! assign chain name C to this molecule
   swap 1 3                                      ! swap information
!
   rotate 36.250   71.500  320.625 e             ! rotate new molecule
   translate 0.0312    0.7222    0.2656 df       ! translate
   flag t                                        ! assign flag
   add 3000                                      ! add 3000 to residue number
   swap 1 4                                      ! swap
!
   rotate 23.55    68.02   326.37 euler          ! rotate new molecule
   translation 0.5114   0.2593   0.7412 df       ! translate
   flag t                                        ! assign flag
   end
!
sf
   resolution 20 3.5                             ! resolution range
   file como4.cal                                ! write Fcalc's to this file
   end
!
stop

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