oh -- except I forgot you need \n in the JavaScript on each line:
var script = "data \"model\"\n\
@<TRIPOS>MOLECULE\n\
etc.
On Mon, Nov 3, 2008 at 3:22 PM, Robert Hanson <[EMAIL PROTECTED]> wrote:
> Right -- so the important thing is to say that the first character should
> be the delimiter -- it's not generally necessary, but in this case, where
> there are spaces, it is, so we might as well say it is necessary.
>
> That said, it might also be mentioned that the DATA command is much simpler
> to use, and it is easier to use because one simply constructs a JavaScript
> string, typically with backslash for line endings:
>
>
> var script = "data \"model\"\
> @<TRIPOS>MOLECULE\
> Asparagine \
>
> 10 0 0 0 0\
> SMALL\
> NO_CHARGES\
> ****\
> C4H8N2O3\
> @<TRIPOS>ATOM\
> 1 C1 1.352237 -0.856933 0.225852 CT 1 DMSO -0.2897\
> 2 H11 1.336243 -1.843530 -0.221408 H1 1 DMSO 0.1284\
> 3 H12 1.276947 -0.923392 1.304085 H1 1 DMSO 0.1284\
> 4 H13 2.275139 -0.356278 -0.035153 H1 1 DMSO 0.1284\
> 5 S2 -0.000004 0.136959 -0.414455 S 1 DMSO 0.3177\
> 6 O3 -0.000040 1.405694 0.357557 O 1 DMSO -0.5085\
> 7 C4 -1.352189 -0.857006 0.225851 CT 1 DMSO -0.2897\
> 8 H41 -2.275117 -0.356396 -0.035149 H1 1 DMSO 0.1284\
> 9 H42 -1.336143 -1.843599 -0.221415 H1 1 DMSO 0.1284\
> 10 H43 -1.276895 -0.923466 1.304085 H1 1 DMSO 0.1284\
> end \"model\""
>
> jmolScript(script)
>
> And, I've demonstrated an even easier way, using HTML comments:
>
> <!--
> --JMOL EMBED--
> @<TRIPOS>MOLECULE
> Asparagine
>
> 10 0 0 0 0
> SMALL
> NO_CHARGES
> ****
> C4H8N2O3
> @<TRIPOS>ATOM
> 1 C1 1.352237 -0.856933 0.225852 CT 1 DMSO -0.2897
> 2 H11 1.336243 -1.843530 -0.221408 H1 1 DMSO 0.1284
> 3 H12 1.276947 -0.923392 1.304085 H1 1 DMSO 0.1284
> 4 H13 2.275139 -0.356278 -0.035153 H1 1 DMSO 0.1284
> 5 S2 -0.000004 0.136959 -0.414455 S 1 DMSO 0.3177
> 6 O3 -0.000040 1.405694 0.357557 O 1 DMSO -0.5085
> 7 C4 -1.352189 -0.857006 0.225851 CT 1 DMSO -0.2897
> 8 H41 -2.275117 -0.356396 -0.035149 H1 1 DMSO 0.1284
> 9 H42 -1.336143 -1.843599 -0.221415 H1 1 DMSO 0.1284
> 10 H43 -1.276895 -0.923466 1.304085 H1 1 DMSO 0.1284
> --JMOL EMBED--
> -->
>
> The advantage here is that you don't need any line breaks or special
> character handling, and you just then use something as simple as:
>
> jmolScript(document.body.innerHTML.split("--JMOL EMBED--\n")[1])
>
>
> and you are done. So if any of that could get in there, that would be good.
>
> Bob
>
>
>
>
> On Mon, Nov 3, 2008 at 2:49 PM, Angel Herráez <[EMAIL PROTECTED]>wrote:
>
>> On 3 Nov 2008 at 7:15, Robert Hanson wrote:
>> > You need to start the model with |
>> > If this is not in the wiki documentation, we need to get that there.
>>
>> I see nothing about loadinline in the Wiki. Any ideas where we have it?
>> There is something in the website,
>> http://jmol.sourceforge.net/jslibrary/#jmolLoadInline
>>
>> but doesn't talk about details of the data format. Anyway, i'll take care
>> of
>> that.
>>
>> I'm quite sure of having read about the vertical line (pipe) delimiter
>> somewhere.
>>
>>
>> >
>> > <param name="loadInline"
>> > value="| 4 MOPAC-Graphical data Version 2007.7.156W|
>> > 8 0.0000000 0.0000000 0.0000000 -0.4225|
>> > 6 1.2108153 0.0000000 0.0000000 0.2364|
>> > ..." />
>> >
>> >
>> >
>> > On Mon, Nov 3, 2008 at 12:11 AM, SourceForge.net <
>> [EMAIL PROTECTED]> wrote:
>> > Feature Requests item #2217513, was opened at 2008-11-03 09:46
>> > Message generated for change (Comment added) made by cpudney
>> > You can respond by visiting:
>> >
>> https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2217513&group_id=23629
>> >
>> > Please note that this message will contain a full copy of the
>> comment thread,
>> > including the initial issue submission, for this request,
>> > not just the latest update.
>> > Category: None
>> > Group: None
>> > Status: Closed
>> > Priority: 5
>> > Private: No
>> > Submitted By: cpudney (cpudney)
>> > Assigned to: Bob Hanson (hansonr)
>> > Summary: loadType parameter for JmolApplet
>> >
>> > Initial Comment:
>> > G'day,
>> >
>> > There are instances in which the Resolver infers the wrong format
>> for data passed to
>> > JmolApplet using the loadInline parameter, e.g.
>> >
>> >
>> http://www.mail-archive.com/[EMAIL PROTECTED]/msg11466.html
>> >
>> > It would be useful if it were possible to bypass the Resolver by
>> specifying to the applet the
>> > format of the data in the loadInline parameter. This would mirror
>> the behaviour of the
>> > "load" script command:
>> >
>> > http://chemapps.stolaf.edu/jmol/docs/#load
>> >
>> > One possible approach might be to add a loadType parameter which is
>> passed one of the
>> > supported format identifiers. If loadType is not supplied (or is
>> invalid) then the Resolver is
>> > used to determine the data format, e.g.
>> >
>> > <param name="loadType"
>> > value="MopacGraphF" />
>> > <param name="loadInline"
>> > value=" 4 MOPAC-Graphical data Version 2007.7.156W|
>> > 8 0.0000000 0.0000000 0.0000000 -0.4225|
>> > 6 1.2108153 0.0000000 0.0000000 0.2364|
>> > ..." />
>> >
>> > would solve the problem in the aforementioned example.
>> >
>> > The Jmol.js library could also provide an interface to this new
>> parameter.
>> >
>> > Thanks,
>> > Chris.
>> >
>> >
>> ----------------------------------------------------------------------
>> >
>> > Comment By: cpudney (cpudney)
>> > Date: 2008-11-03 15:11
>> >
>> > Message:
>> > G'day,
>> >
>> > Thanks Bob - I think the SourceForge tracker compacts white-space.
>> When
>> > viewed in plain-text my original example has the same amount of
>> white-space
>> > as you suggest.
>> >
>> > I've experimented with varying amounts of white-space and the
>> Resolver
>> > always infers FoldingXYZ, so I think we might have a bug, see
>> >
>> http://www.mail-archive.com/[EMAIL PROTECTED]/msg11474.html
>> ,
>> > if so I close this RFE and open a bug instead.
>> >
>> > Thanks,
>> > Chris.
>> >
>> >
>> ----------------------------------------------------------------------
>> >
>> > Comment By: Bob Hanson (hansonr)
>> > Date: 2008-11-03 10:09
>> >
>> > Message:
>> > Chris, it's probably a good idea, but....
>> >
>> > It is important to have the EXACT file format. The reason Jmol is so
>> > particular is that often if the format is incorrect, the file will
>> be read
>> > incorrectly. In this case, the MOPAC specification requires:
>> >
>> > Block 1, 1 line: Number of atoms (5 characters), plain text:
>> > "MOPAC-Graphical data", and version number
>> >
>> > That's a bit unclear -- there's a space between the number and
>> "MOPAC".
>> > That is what Jmol is looking for. You have "MOPAC" in position 4,
>> not
>> > position 6. This should read:
>> >
>> > <param name="loadInline"
>> > value=" 4 MOPAC-Graphical data Version 2007.7.156W|
>> > 8 0.0000000 0.0000000 0.0000000 -0.4225|
>> > 6 1.2108153 0.0000000 0.0000000 0.2364|
>> > ..." />
>> >
>> > Bob
>> >
>> >
>> ----------------------------------------------------------------------
>> >
>> > You can respond by visiting:
>> >
>> https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2217513&group_id=23629
>> >
>> >
>> -------------------------------------------------------------------------
>> > This SF.Net email is sponsored by the Moblin Your Move Developer's
>> challenge
>> > Build the coolest Linux based applications with Moblin SDK &win
>> great prizes
>> > Grand prize is a trip for two to an Open Source event anywhere in
>> the world
>> > http://moblin-contest.org/redirect.php?banner_id=100&url=/
>> > _______________________________________________
>> > Jmol-developers mailing list
>> > [email protected]
>> > https://lists.sourceforge.net/lists/listinfo/jmol-developers
>> >
>> >
>> >
>> > --
>> > 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
>> >
>>
>>
>>
>> -------------------------------------------------------------------------
>> This SF.Net email is sponsored by the Moblin Your Move Developer's
>> challenge
>> Build the coolest Linux based applications with Moblin SDK & win great
>> prizes
>> Grand prize is a trip for two to an Open Source event anywhere in the
>> world
>> http://moblin-contest.org/redirect.php?banner_id=100&url=/
>> _______________________________________________
>> Jmol-developers mailing list
>> [email protected]
>> https://lists.sourceforge.net/lists/listinfo/jmol-developers
>>
>
>
>
> --
> 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
>
--
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
-------------------------------------------------------------------------
This SF.Net email is sponsored by the Moblin Your Move Developer's challenge
Build the coolest Linux based applications with Moblin SDK & win great prizes
Grand prize is a trip for two to an Open Source event anywhere in the world
http://moblin-contest.org/redirect.php?banner_id=100&url=/
_______________________________________________
Jmol-developers mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
