STATIC keyword added.
The next release of Jmol (10.00.49) will include
(1) select/connect (revised)
select (source atom selection)
connect <min distance> <max distance> <option STATIC> <bond type>
(target atom selection)
You specify:
a source atom selection,
a minimum distance (optional),
a maximum distance (optional),
*an optional STATIC keyword,*
a bond type (optional -- SINGLE, DOUBLE, TRIPLE, AROMATIC, HBOND, DELETE),
and a target atom selection
The command then connects (or disconnects) all atoms in the source
set to all atoms in the target set. Generally it doesn't matter
if they were connected or not before this. *However, if the STATIC
keyword is included, then it operates only on pre-existing connections.*
Example:
select (atomno=3)
connect 1.4 1.6 SINGLE (oxygen)
connect 1.2 1.4 DOUBLE (oxygen)
connects atom number 3 to any oxygen > 1.4 and <= 1.6
Angstroms from it with a single bond, and to
oxygens > 1.2 and <=1.4 Angstroms from it with a double bond.
select (carbon)
connect STATIC HBOND (selected)
turns all pre-existing C-C bonds to dotted lines.
select (carbon)
connect 1.2 1.4 STATIC DOUBLE (all)
turns all pre-existing bonds to carbon that are between 1.2 and 1.4
Angstroms to double bonds.
example of use of connect can be found at
http://www.stolaf.edu/people/hansonr/jmol/test/json/connect.htm
-Bob Hanson
--
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
-------------------------------------------------------
This SF.net email is sponsored by: Splunk Inc. Do you grep through log files
for problems? Stop! Download the new AJAX search engine that makes
searching your log files as easy as surfing the web. DOWNLOAD SPLUNK!
http://sel.as-us.falkag.net/sel?cmd=lnk&kid=103432&bid=230486&dat=121642
_______________________________________________
Jmol-developers mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
