Bob,
Evidently, a fair number of PubChem's sdf's have partial charge data. I
know that I can parse the data with JavaScript and apply the charge
results, including implied zeros, to the model with Jmol script, but I want
to make sure I'm not reinventing the wheel. I've pasted the data for
etha
On 17 Jan 2011 at 14:48, Jonathan Gutow wrote:
> 2) I am not aware of a way to pass the path to use to Jmol on launch
> except as a script.
At least in Windows, a batch file should be able do that. Not sure now what
exactly you are
needing. (I haven't followed the thread fully)
Eric,
I'm not sure how to do everything you want. But some things you
should look at:
1) I use automator to build a double clickable application that can be
put in the doc to launch Jmol. You have to make it for the directory
you have your Jmol.jar located in.
2) I am not aware of a way
Thanks for double-checking and updating the website, Angel! -Eric
At 1/17/11, you wrote:
>Eric, you description was -of course- precise and correct. I have
>checked that the source code was designed to do what you were seeing
>in assigning colors to chains.
>The erroneous description must have bee
Philippe wrote:
> thank you for your help. now, i can use jmol. Just a last question,
> I may open an plug-in chime with Jmol.
Hello Phillipe
Maybe you mean that you have molecule files that you used to open
with Chime? They will all be opened by Jmol without trouble.
The equivalent approach
Eric, you description was -of course- precise and correct. I have
checked that the source code was designed to do what you were seeing
in assigning colors to chains.
The erroneous description must have been either a misconception in
the doc or an obsolete description.
The documentation has now
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