An additional note-- the READ COOR PDB command has improved since I first developed my approach using READ COOR UNIV; it should be reasonable to use PDB instead of UNIV. The changes needed are:

! ALTERNATE PDB INPUT METHOD; put B-factors in WMAIN
read univ
* modified pdb
*
pdb
segid 22 1
ires 23 4
w 61 6
end


The above section isn't needed, but may be left in place (it is harmless), commented out (via ! char), or deleted. Each READ COOR command is changed from

! PROTEIN FRAGMENT, SEGID A; GET SEQU AND COORDS FROM FILE
open unit 3 read card name irk.pdb
read sequ pdb unit 3
rewind unit 3
gener A setup warn
read coor univ unit 3 offset -980
close unit 3

to

! PROTEIN FRAGMENT, SEGID A; GET SEQU AND COORDS FROM FILE
open unit 3 read card name irk.pdb
read sequ pdb unit 3
rewind unit 3
gener A setup warn
read coor pdb unit 3 offset -980
close unit 3


Rick Venable
computational chemist