Hi Mark--
>
> where would I insert the “noe.setShowAllRestraints(True)” in the
> wrefine.py script?
>
For wrefine.py in Xplor-NIH version 3.8 in eginput/gb1_rdc the
distance restraint setup loop starting on line 107 would change to:
for (name,scale,file) in [('all',1,"noe_sum_3.tbl"),
#add entries for additional tables
]:
pot = create_NOEPot(name,file)
pot.setShowAllRestraints( True )
# pot.setPotType("soft") - if you think there may be bad NOEs
pot.setScale(scale)
noe.append(pot)
best regards--
Charles
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