Bob,
I was reviewing some old code, and an atomindex vs atomno question came up. If
I load methane, the following results:
print {*}[0].atomno returns 5
print {*}[1].atomno returns 1
print {*}[2].atomno returns 2
print {*}[3].atomno returns 3
print {*}[4].atomno returns 4
print {*}[5].atomno returns 5
I understand the difference between atomindex and atomno, but I’m not sure of
the “meaning” of {*}[0].atomno.
The reason that I’m curious is that I do atom number renumbering during some
editing (multiple models in window), and I’m not sure that I’m doing it
correctly:
for (var i = 1; i < {*}.length +1; i++){ {*}[i].atomno = i };
This is a case where nothing seems broken, but I’m suddenly concerned about my
method because of that {*}[0].atomno
Otis
--
Otis Rothenberger
[email protected]
http://chemagic.org
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