Re: [Jmol-users] Resolver thinks mopac graphical format (MGF) is FoldingXYZ

[Chris Pudney]

G'day,

> Perhaps we have a bug in the Resolver's parse rule for MGF?

I've reported this bug in Jmol's SourceForge bug-tracker:



Regards,
Chris.

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Re: [Jmol-users] Resolver thinks mopac graphical format (MGF) is FoldingXYZ

[Chris Pudney]

G'day,


As mentioned in that response I gave to the Feature Request -- the problem
is the inline data missing a few space characters in line 1.


Hmm, I think the SourceForge tracker has done some white-space 
compaction :(  When viewed in plain-text my original example has the 
same white-space in the MGF header line as you suggest.


I've attached my example (also pasted below for digest readers but no 
guarantees can be made about white-space preservation), which when run 
with JmolApplet v11.6.3 results in the data being read as FoldingXYZ. 
I've experimented with various amounts of white-space in the header line 
with the same results each time.


Perhaps we have a bug in the Resolver's parse rule for MGF?

Regards,
Chris.
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Jmol MopacGraphF Example


   




Title: Jmol MopacGraphF Example




  
 



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Re: [Jmol-users] Resolver thinks mopac graphical format (MGF) is FoldingXYZ

[Robert Hanson]

As mentioned in that response I gave to the Feature Request -- the problem
is the inline data missing a few space characters in line 1.

Bob


On Sun, Nov 2, 2008 at 7:00 PM, Chris Pudney
<[EMAIL PROTECTED]>wrote:

> G'day,
>
> > In the load command, there is indeed:
> > http://chemapps.stolaf.edu/jmol/docs/#load
> > 
> > In your case, it would be
> > "MopacGraphF::yourfile
>
> Thanks.  I tried
>
> load "MopacGraphF::URL"
>
> and it works.  Perversely,
>
> load "URL"
>
> also works, i.e. the Resolver correctly infers the data format when
> loading MGF data via a URL but is incorrect when the data is passed
> inline.  Does the Resolver parse the URL for hints about the data format?
>
>
> > But using loadinline, I don't know. Maybe you can use  "script INLINE"
> > and/or "data"
> > http://chemapps.stolaf.edu/jmol/docs/#script
> > http://chemapps.stolaf.edu/jmol/docs/#data
>
> I wasn't able to see how I could supply the data format hint with these
> commands.
>
> I've submitted an RFE to support passing JmolApplet a hint about the
> data format.
>
> <
> https://sourceforge.net/tracker/index.php?func=detail&aid=2217513&group_id=23629
> >
>
> Thanks,
> Chris.
>
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> This SF.Net email is sponsored by the Moblin Your Move Developer's
> challenge
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> prizes
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


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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Re: [Jmol-users] Resolver thinks mopac graphical format (MGF) is FoldingXYZ

[Chris Pudney]

G'day,

> In the load command, there is indeed:
> http://chemapps.stolaf.edu/jmol/docs/#load
> 
> In your case, it would be
> "MopacGraphF::yourfile

Thanks.  I tried

load "MopacGraphF::URL"

and it works.  Perversely,

load "URL"

also works, i.e. the Resolver correctly infers the data format when 
loading MGF data via a URL but is incorrect when the data is passed 
inline.  Does the Resolver parse the URL for hints about the data format?


> But using loadinline, I don't know. Maybe you can use  "script INLINE" 
> and/or "data"
> http://chemapps.stolaf.edu/jmol/docs/#script
> http://chemapps.stolaf.edu/jmol/docs/#data

I wasn't able to see how I could supply the data format hint with these 
commands.

I've submitted an RFE to support passing JmolApplet a hint about the 
data format.



Thanks,
Chris.

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Re: [Jmol-users] Resolver thinks mopac graphical format (MGF) is FoldingXYZ

[Angel Herráez]

On 2 Nov 2008 at 15:50, Chris Pudney wrote:
> Is there any way to provide a hint to the applet that the data is of a 
> particular format?

Hi Chris

In the load command, there is indeed:
http://chemapps.stolaf.edu/jmol/docs/#load
says:

 this resolution process can be overridden by specifying a prefix to the file 
name consisting of the file type followed by two colon characters: load 
"molpro(xml)::myfile.

In your case, it would be
"MopacGraphF::yourfile

But using loadinline, I don't know. Maybe you can use  "script INLINE" 
and/or "data"
http://chemapps.stolaf.edu/jmol/docs/#script
http://chemapps.stolaf.edu/jmol/docs/#data


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