My reading is not "duplicate CONECT records" but duplicate numbers in the
same record. At least, that is what I implemented:
CONECT 1 2 2
not
CONECT 1 2
CONECT 1 2
(allowed before)
or
CONECT 1 2 3
CONECT 1 2
(never allowed)
>From what I can tell, these files aren't following the specs anyway -- that
all CONECT records "x bonded to y" must have a redundant record "y bonded to
x". Jmol doesn't care, of course.
Do we need:
CONECT 1 2
CONECT 1 2
?
Bob
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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