Hi Robert,
I attached an example to this message. I would like to create a colored
surface in Jmol using x,y,z coordinates along with the SIGMA data. If there
is something unclear about the data, just ask me.
1-CHLOROBUTANE.cos
Description: Binary data
---
yes, please send an example.
On Thu, Feb 17, 2011 at 9:47 AM, Eduardo Oliveira wrote:
> Hi Robert,
>
> .cos files are files which contain data for (x,y,z) coordinates, that can
> generate a surface around the molecule. They are created by a program called
> MOPAC. If it helps, i could send an att
Argh. Definitely a bug. Will be corrected for Jmol 12.0.33; fixed for Jmol
12.1.36 http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
set bondPicking TRUE should just pick the bond, not delete it.
Bob
On Thu, Feb 17, 2011 at 11:39 AM, Adam Cooper wrote:
> Hi everyone.
>
>I ha
Angel and Adam,
To maintain model editing ability via script when NOT in modelkit mode is, I
think, important. I find it essential. What may be useful here is a no action
set picking assignBond_ ?? default that would just report bond picked.
Adam, I'm interested in your callback report. What I'
Oh, I didn't know this feature existed.
To me, changing bonds
1. is not suggested by the word "picking"
2. makes sense only in the context of ModelKit mode
3. could be implemented, if intended out of ModelKit mode, in the callback
function, e.g.
using connect
Having bonds dissapear in normal Ve
Otis - thanks.
pickCallback gives me
e.g. ["bond","2 1 C1 #1 -- C3 #3 0.7795",2.433,0.25,0.0]
which I can make use of.
Now I've played with assignBond_1 etc, I can see what you are doing
and why.
Is it possible (in principle) to use the return value from the
pickCallback function
i.e. a
Angel and Adam,
I've been working under the assumption the set bondpicking true sets bond
picking default behavior to changing bond order with the default order setting:
set picking assignBond_0
The call back information on this is of the following format (for ethane):
bond [{0}] "0"
Bug or n
Hello Adam
There is no reason why the bond should be deleted. This must be a
bug.
Please provide details of the exact version of Jmol you are using
--
The ultimate all-in-one performance toolkit: Intel(R) Parallel Studi
Hi everyone.
I have been trying to use jmol and jmol.js to intercept atom and
bond picking. I can use the callback mechanism and get the information I
seek but (as expected) bond pick information is only called-back with
"set bondpicking true". In this case, the bond is also delete
Hi Robert,
.cos files are files which contain data for (x,y,z) coordinates, that can
generate a surface around the molecule. They are created by a program called
MOPAC. If it helps, i could send an attachment with an example of a .cos
file.
-
what are .cos files? What program creates these?
On Thu, Feb 17, 2011 at 7:39 AM, Eduardo Oliveira wrote:
> Hi everyone,
>
> I have some surface data and i would like to generate a colored surface on
> Jmol, however the file format i'm using (.cos) is not supported by Jmol. I
> would like to know
Hi everyone,
I have some surface data and i would like to generate a colored surface on
Jmol, however the file format i'm using (.cos) is not supported by Jmol. I
would like to know more about the structure of .jvxl files, in order to
convert these files.
Thanks for your help.
---
12 matches
Mail list logo
