Thank you for the correct format.
Jaim
On Sep 17, 2013, at 3:03 AM, Robert Hanson
<[email protected]<mailto:[email protected]>> wrote:
what version did that work in? Should be:
data "connect_atoms"
91 1980 4096 0.4 -2.501 hbond;
1705 1872 4096 0.4 -2.974 hbond;
1722 1853 4096 0.4 -2.543 hbond;
end "connect_atoms";
This format is not documented; it was intended only for definition of the
state. For reference, the columns are:
1 and 2 are the 0-based atom indices
3 is the coded bond type.
4 is the diameter of the connector
5 is the "energy" calculated for this bond (only relevant for hydrogen bonds)
6 is the human-readable meaning of the coded bond type (ignored)
Bob
On Mon, Sep 16, 2013 at 1:45 PM, Jaime Prilusky
<[email protected]<mailto:[email protected]>> wrote:
Is this structure not longer valid? We have several scripts using it in the
past and things were Ok.
Today, running on Jmol 13.0.1 it returns parsing error. Does it works Ok on
previous versions of Jmol? On newer versions?
Jaim
data "connect;
connect_atoms"
91 1980 4096 0.4 -2.501 hbond;
1705 1872 4096 0.4 -2.974 hbond;
1722 1853 4096 0.4 -2.543 hbond;
end "connect_atoms";
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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