How is the content of the image determined?
I am pulling molfiles from a database based on an MDLNumber or some other
identifier.
Does "stream" mean that you want to send a series of images? Or do you
want to send only a single one?
I would like to send multiple images, but only one at a time. Fo
That's exactly what I'd like -- to have an API and to be able to use that
API with JMol embedded in another application, in this case a JSP/Servlet
web application.
a very simple API would be something like
byte[] imgData = JMol.renderJPEG(moleFileString);
Then I'd have the raw image byte dat
Quoting Chris Stockton <[EMAIL PROTECTED]>:
> Is there anyway of generating static images pro grammatically using JMol.
>
> I can generate them manually, using a command like: jmol.bat -s
> script.spt-n -g200x200 JPEG:
> image.jpg -x
> but I'm hoping that there is an API somewhere in JMol that wou
Chris Stockton wrote:
> Is there anyway of generating static images pro grammatically using JMol.
>
> I can generate them manually, using a command like: jmol.bat -s
> script.spt -n -g200x200 JPEG:image.jpg -x
> but I'm hoping that there is an API somewhere in JMol that would allow
> me to gener
Is there anyway of generating static images pro grammatically using JMol.
I can generate them manually, using a command like: jmol.bat -s
script.spt-n -g200x200 JPEG:
image.jpg -x
but I'm hoping that there is an API somewhere in JMol that would allow me to
generate a static image from a molfile or
Thanks for all the suggestions...
Noel
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You're almost there. There are a few ways of doing this, but here's the
simplest.
# Task 0:
load files "protein.mol2" "ligand.mol"
# Task 1:
select within(6.0, true, {model=2.1}) and {model!=2.1}
(This "TRUE" parameter is new -- it indicates that you want to do
cross-model checking.)
#Task 2:
Noel O'Boyle wrote:
> I am just starting to use Jmol and I would really appreciate some help...
>
> I have a protein file, and I have a ligand file. Task 1 is to select
> only those protein atoms within 6Ang of the ligand. Task 2 is to
> display only these selected atoms. Task 3 is to draw the iso
Should be interesting to compare your calculation with Jmol's. There is
a built-in property surfaceDistance that handles this. The data
statement documentation hasn't been looked at for quite some time. It's
a bit out of date. This refers to Jmol 11.3. You have several options:
Using your data,
I am just starting to use Jmol and I would really appreciate some help...
I have a protein file, and I have a ligand file. Task 1 is to select
only those protein atoms within 6Ang of the ligand. Task 2 is to
display only these selected atoms. Task 3 is to draw the isosurface of
the selected atoms.
The answer is Yes - if you read the documentation a second time you
would have found the MAP option.
Noel
On 07/12/2007, Noel O'Boyle <[EMAIL PROTECTED]> wrote:
> Dear Jmol team,
>
> I would like to draw a VdW or Solvent Accessible Surface in the active
> site of a protein and colour it based on
Dear Jmol team,
I would like to draw a VdW or Solvent Accessible Surface in the active
site of a protein and colour it based on some property of the atoms
used to build the surface.
Is this possible with Jmol?
The most common use case is to colour the surface red for proton
donors, and blue for
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