Eric,
Yes, that's a bug. It will be fixed in the next version. But when it's
fixed, you still won't be able to do this:
select within(1.0, withinallmodels, 1.1) and 1.2
What you are doing is trying to substitute a math variable into a within()
clause in a SELECT command. Just can't do that. Instead, you want to use
the math equivalent:
Var withinallmodels = true
Var x = within(1.0, withinallmodels, {1.1}) and {1.2}
select x
That's allowed.
or (embedding all the math in @{...}):
select @{within(1.0, withinAllModels, {1.1}) and {1.2} }
or (embedding some of it):
select @{within(1.0, withinAllModels, {1.1})} and 1.2
Those should work for you today.
Bob
On Sat, Jul 14, 2012 at 2:39 PM, Eric Martz <[email protected]>wrote:
> Hi, Bob,
>
> In Jmol 12.3.32, possible bug? Or am I missing something?
>
> $ load =1hpn
> GLYCOSAMINOGLYCAN 17-JAN-95 1HPN
> N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF
> HEPARIN
>
> 2 models
>
> $ select 1.1
> 301 atoms selected
> $ select 1.2
> 301 atoms selected
> $ select within(1.0, true, 1.1) and 1.2
> 153 atoms selected
> $ show withinallmodels
> withinallmodels = <not defined>
> $ withinallmodels = true
> $ select within(1.0, withinallmodels, 1.1) and 1.2
> NO SELECT REPORT, NOTHING HAPPENS INDEFINITELY
> $ !exit
> script execution halted with !exit
>
> ---------------------
> I'M NEVER CLEAR WHEN TO USE VARIABLE VS. @VARIABLE, SO:
> SEPARATE SESSION -- CLEAN INVOCATION OF JMOL 12.3.32
>
> $ load =1hpn
> GLYCOSAMINOGLYCAN 17-JAN-95 1HPN
> N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF
> HEPARIN
>
> 2 models
>
> $ withinallmodels = true
> $ select within(1.0, @withinallmodels, 1.1) and 1.2
> NO RESPONSE ...
> $ show withinallmodels
> NO RESPONSE ...
> $ !exit
> script execution halted with !exit
> $ show withinallmodels
> NO RESPONSE ...
> -----------------------
> Thanks, Eric
>
>
> ------------------------------------------------------------------------------
> Live Security Virtual Conference
> Exclusive live event will cover all the ways today's security and
> threat landscape has changed and how IT managers can respond. Discussions
> will include endpoint security, mobile security and the latest in malware
> threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
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
------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and
threat landscape has changed and how IT managers can respond. Discussions
will include endpoint security, mobile security and the latest in malware
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
