Dear Bob,
Bug 1. A difference between earlier Jmols and Jmol 8/12 (or 7/29), which
I think is a bug:
Jmol 7/9 or 7/23 select all atoms for config=1, even when there are no
altlocs. Jmol 7/29 or 8/12 select ZERO atoms for config=1 when there are
no altlocs, but all atoms when there are one or more atoms with altlocs.
Jmol 7/9 or 7/23:
load =1d66 # no altlocs
select config=1 # selects all atoms, 1762
-------------------------------------------
Jmol 7/29 or 8/12:
load =1d66 # no altlocs
select config=1 # selects ZERO atoms
load =1utb # one water oxygen is marked altloc A
select config=1 # selects all atoms, 3598
--------------------------------------------
Bug 2. When asked to sort a PDB file containing exactly one altloc
({altloc!=''}.altloc.sort), an ERROR occurs. However zero or >1 atoms
with altlocs are sorted without complaint. This bug goes back at least
to Jmol 7/9.
Jmol 7/9, 7/23, 7/29, 8/12:
load =1d66 # no altlocs
print {altloc!=''}.altloc.sort # prints nothing, which is correct
load =1utb # one water oxygen is marked altloc A
print {altloc!=''}.altloc.sort
script ERROR: unexpected end of script command
----
print { altloc != "" } . altloc . >> sort <<
load =1rx2 # 8 atoms marked with altlocs
print {altloc!=''}.altloc.sort # prints 8 A's
Thanks and best regards, Eric
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