! sumw.edp  by X. Cai Zhang, modified on 010602
! calculate summations of the OCC field over residue (stored in X),
!  main chain (Y), and side chain (Z). this may be useful after storing
!  information in the OCC field (e.g. using the 'access' command). 
! all there results are stored
!  in the CA atom records, assuming each residue has a CA atom (for protein, 
!  this is a pretty good assumption, i think).
! one may save this result using the 'write' command.
! also see: avb.edp, rmsw.edp
! syntax: 
! @sumw.edp

initialize ; ca ; blank ; more ; sumw x
exclude side ; sumw y 
more ; exclude main ; sumw z

initialize ; ca ; setw 0.0 ; sete ; seta smw 
list