To follow up on this, a separate message introduced
http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.11_2014.12.04.zip
with new functionality that allows reading tab-separated and CSV file data
back into Jmol as atom properties.
Bob
On Wed, Dec 3, 2014 at 8:45 AM, Marc Chakiachvili <
marc.chakiachv
So just to follow up on my last note:
http://chemapps.stolaf.edu/jmol/jmol.php?source=http://files.figshare.com/1825432/MeOH_NMR01b.log
Displays your model. That is not very interesting, though. The thing to do
is, from your Jmol application, display whatever you particularly want to
show your co
Thanks Robert.
Simply changed the source
http://chemapps.stolaf.edu/jmol/jmol.php?source=http://files.figshare.com/1426063/s2cl2_b_2.22cTS.log
which worked like a charm.
Darren.
On 6 December 2014 at 21:51, Robert Hanson wrote:
> You can use
>
> http://chemapps.stolaf.edu/jmol/jmol.php?source=h
You can use
http://chemapps.stolaf.edu/jmol/jmol.php?source=http://introchem.chem.okstate.edu/DCICLA/jmol/molecules/II.A.1.ch3ch3.smol
Where you just change the source attribute to whatever URL you want.
See
http://chemapps.stolaf.edu/jmol/jmol.php
for details.
On Fri, Dec 5, 2014 at 6:32
Hi Rolf
Thanks ... that's exactly what I was hoping to find.
Darren.
On 6 December 2014 at 18:52, Rolf Huehne wrote:
> Am 06.12.14 11:39, schrieb darren.rhodes:
>> Hi Eric
>>
>> Thanks for your reply ... I'll look at Proteopedia. In the mean time
>> here's some clarification.
>>
>> When I
Am 06.12.14 11:39, schrieb darren.rhodes:
> Hi Eric
>
> Thanks for your reply ... I'll look at Proteopedia. In the mean time
> here's some clarification.
>
> When I type the following on my command line,
>
> jmol MeOH_NMR01b.log &
>
> As is common to our shared experience, jmol starts up, the str
Eric, I agree with you but --as I understand it-- Darren does not want to edit
pages (one per model).
There is also a concern regarding uploading his files to Proteopedia -- they
have nothing to do with biomolecules, and he is not interested in writing
descriptions about them, I think. He just
All 3 issues raised by Angel below are eliminated if you use
Proteopedia. Again, let me know if you'd like help or an example -- or
Angel can help as he is also familiar with Proteopedia.
On 12/6/14 7:48 AM, Angel Herráez wrote:
> Caveats:
>
> 1. Such a cross-origin file request may fail dependi
> On 6 Dec 2014, at 12:48, Angel Herráez wrote:
>
> Darren, I've done a test locally, and it is indeed possible to display the
> model
> loaded from figshare (using the download URL, not the page URL) in a
> JSmol page.
>
> i.e. http://files.figshare.com/1825432/MeOH_NMR01b.log
>
> The link
Thanks for your help (and also the help of the others who contributed
to the thread).
Darren.
On 6 December 2014 at 12:48, Angel Herráez wrote:
> Darren, I've done a test locally, and it is indeed possible to display the
> model
> loaded from figshare (using the download URL, not the page URL)
Darren, I've done a test locally, and it is indeed possible to display the
model
loaded from figshare (using the download URL, not the page URL) in a
JSmol page.
i.e. http://files.figshare.com/1825432/MeOH_NMR01b.log
The link you could share with collaborators is of the form
http://some.server
darren.rhodes wrote:
> Hi Angel
>
> Thanks for your note but I was hoping to be able to exhibit the full
> flavour of a GAMESS (US) log file
Yes, that was clear. I mentioned SMILES just because it works but I was
anticipating it was not your case.
-
darren.rhodes wrote:
> When I type the following on my command line,
>
> jmol MeOH_NMR01b.log &
>
> As is common to our shared experience, jmol starts up, the structure
> found within the file MeOH_NMR.log is appears and it can be
> interrogated using the tools that ship with jmol.
Yes, but tha
Hi Angel
Thanks for your note but I was hoping to be able to exhibit the full
flavour of a GAMESS (US) log file, for example, I've got an IRC of a
dehyrdation reaction which I'd like to be able to share with not only
the cognescenti (those on this group) but the non-cognescenti
(intelligent and ca
Hi Eric
Thanks for your reply ... I'll look at Proteopedia. In the mean time
here's some clarification.
When I type the following on my command line,
jmol MeOH_NMR01b.log &
As is common to our shared experience, jmol starts up, the structure
found within the file MeOH_NMR.log is appears and i
On 6 December 2014 at 12:26, Angel Herráez wrote:
> Hi Darren
>
> There are two issues in your question
> 1. where to locate the page that holds Jmol (I have understood you do not
> want to create it)
> 2. where to locate the data file
>
> There is something similar implemented, e.g. in Wikipedia
Hi Darren
There are two issues in your question
1. where to locate the page that holds Jmol (I have understood you do not
want to create it)
2. where to locate the data file
There is something similar implemented, e.g. in Wikipedia. Many molecules,
like https://en.wikipedia.org/wiki/Citrate
ha
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