x = Jmol.evaluateVar(.)
On Thu, Jun 30, 2016 at 10:43 AM, Otis Rothenberger
wrote:
> Excellent. That works.
>
> Related to the mf array this leads to, what’s the best way to hand a
> JmolScript array to a page JavaScript function? The only way I know how to
> do this is with Message Callba
Excellent. That works.
Related to the mf array this leads to, what’s the best way to hand a JmolScript
array to a page JavaScript function? The only way I know how to do this is with
Message Callback. Is there a more direct way?
Otis
--
Otis Rothenberger
o...@chemagic.org
http://chemagic.org
My mistake. The way to do this is
n = {*}.molecule.max
On Thu, Jun 30, 2016 at 9:57 AM, Philip Bays wrote:
> Otis:
>
> I confirm your observation using Safari. But in Firefox, n = 2. Safari
> can’t count?
>
>
>
> On Jun 30, 2016, at 12:29 AM, Otis Rothenberger
> wrote:
>
> Bob,
>
> Go to yo
Otis:
I confirm your observation using Safari. But in Firefox, n = 2. Safari can’t
count?
> On Jun 30, 2016, at 12:29 AM, Otis Rothenberger wrote:
>
> Bob,
>
> Go to your test2.htm page and load hexanal from PubChem (not Resolver). Enter
> model kit mode and use delete bond to break hex
Bob,
Go to your test2.htm page and load hexanal from PubChem (not Resolver). Enter
model kit mode and use delete bond to break hexanal into 3 parts. Exit model
kit mode and use the console to enter n={*}[0].molecule;show n. You’ll get n =
1. As an aside n={*}[-1].molecule;show n yields n = 3
M
I still don't get what the problem is.
On Wed, Jun 29, 2016 at 2:21 PM, Otis Rothenberger
wrote:
> Bob,
>
> I should gave given you two more data points on the PubChem issue. I'm
> sure you know the first: If PubChem comes in with charges, these charges
> are appended to the Jmol molfile extract
Bob,
I should gave given you two more data points on the PubChem issue. I'm sure you
know the first: If PubChem comes in with charges, these charges are appended to
the Jmol molfile extraction.
Second, If a Jmol extracted molfile containing these PubChem charges is loaded
into Jmol, this load
I'll check on what's up with the partial charges. No effect on
{molecule=1}.find("MF"), I'm fairly certain.
On Wed, Jun 29, 2016 at 8:50 AM, Robert Hanson wrote:
> {*}.find("MF") will report the MF you want. No need to go through the
> propery. But I hear you. Yes, probably moleculeInfo should d
{*}.find("MF") will report the MF you want. No need to go through the
propery. But I hear you. Yes, probably moleculeInfo should do that. It's a
simple fix.
On Wed, Jun 29, 2016 at 1:35 AM, Otis Rothenberger
wrote:
> Bob,
>
> First, AAARGH! Finally.
>
> Here’s what messes up [n = {*}[0].molecu
Bob,
First, AAARGH! Finally.
Here’s what messes up [n = {*}[0].molecule;show n] in Jmol - Otis.htm and
Test2.htm
PubChem provides SDF's with partial charges and without partial charges.
Actually, they are always there, but some are listed
>
0
If the PubChem file actually lists non-zero cha
10 matches
Mail list logo
