The loud silence of discussion re connect suggests that I can go ahead
and implement my option -- which defaults to the same as current
behavior for
select (atom set)
connect <max distance> (target atom set)
but doesn't depend upon bondmode for any changing of order, because
order is determined at the time of connection, not later.
Syntax will be:
select (atom set)
connect <min distance> <max distance> <bond type> (target atom set)
with
-distances in Angstroms
-bond types SINGLE DOUBLE TRIPLE AROMATIC HBOND DELETE
-all parameters except target atom set optional
-no distance parameter defaults to any distance
-single distance defaults to max distance
-default bond type SINGLE
-no dependence on bondmode setting
-no dependence on previous bonding between atoms
-bonds never made between atoms of two different models
I thought about adding "+" or some "INCREMENT" but for the life of me
I can't imagine why you would want to do that --- increment a bond
order without already knowing what it is. We can talk about that later.
The current-but-soon-to-be-history mode of
connect DOUBLE
which DOES depend upon BONDMODE will continue in the form of
bondorder 2
for those who like that idea.
-Bob
Speak now or undo my next commit.
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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