! chi.edp   by X. Cai Zhang, 000602
! list all the chi_1, chi_2 (for beta-branched residue also chi_2') angles
!  of all a.a. residues. the residue average B-factors are listed in the B field.
! all there results are stored in the CA atom records: chi_1 (X), chi_2 (Z),
!  and chi_2' (Y).
! you may save this result using the 'write' command. 
! also see: phipsi.edp, avb.edp, bad_chi.edp

! syntax: 
! @chi.edp 

setenv -s interactive off
initialize ; ca ; blank ; setw 0.0 ; more 

dfabcd n ca cb cg    ; abcd b x
dfabcd n ca cb og    ; abcd b x
dfabcd n ca cb cg1   ; abcd b x
dfabcd n ca cb og1   ; abcd b x
dfabcd n ca cb sg    ; abcd b x
dfabcd n ca cb cg2   ; abcd b y
dfabcd ca cb cg sd   ; abcd a z
dfabcd ca cb cg cd   ; abcd a z
dfabcd ca cb cg od1  ; abcd a z
dfabcd ca cb cg nd1  ; abcd a z
dfabcd ca cb cg cd1  ; abcd a z
dfabcd ca cb cg1 cd1 ; abcd a z

exclude main ; avb w ; switchwb 

initialize ; setenv -r interactive 
ca ; setw 0.0 ; seta chi ; sete ; list