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Lovely. I still want to see something like this with the electron fields
rendered instead of the connector sticks. Maybe it would look too
confusing.. or maybe it could look very pretty...
--
-Nekar Xenos
"The truth is out there"
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"Nekar" <ger### [at] rpmmag coza> wrote:
> Lovely. I still want to see something like this with the electron fields
> rendered instead of the connector sticks. Maybe it would look too
> confusing.. or maybe it could look very pretty...
>
>
> --
> -Nekar Xenos
> "The truth is out there"
Hi Nekar,
i also would like to render electron density-maps, because that's what You
measure in a X-ray diffraction experiment. But up to now i didn't find a
way to convert the different slices of fourier-maps or electron density
maps to DF3 format. It would be very nice to render the unit cell, or even
only the asymmetric unit in a way that it represents the electron density
in the space by illuminating clouds. If someone have a good idea i would
appreciate a lot to hear it.
Best ragards, Shu
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"EagleSun" <nomail@nomail> wrote:
> 1: Looks like you have an opportunity to make 2 renders: 1 for left eye, 1
> for right eye, and make it 3D! Can you do one for us? They are popular in
> chemistry journals.... at least when I used to be research assistant.
>
> 2: What is this software ORTEP3? Does it import/export to different
> models?
Hi EagleSun,
hmmmm stereo view. It should be no problem to render one image with a
camera-position left and one with the position right to the centered normal
vector to the molecule. But the difficulties will start when i need to merge
both images into one using red and blue colors. I think the idea is good but
it's not possible for the complete image including the background. But for
the single molecule alone maybe i can achieve a good looking steroview.
ORTEP3 is a program for displaying the Thermal ellipsoids (ORETP = Oak Rich
Thermal Ellipsoid Plot) of determined X-ray crystal structures. These
ellipsoids represent the space occupied by the electrons of a atomic
nucleous with 50 % propability level. It has nothing to do with POVRAY
except the fact that is exportes very nice *.pov files of the structural
data of a molecule. You can only use it to converst different molecular
structure file formats into each others but You cannot interconvert models
from other sources.
Best regards, Shu.
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Shurakai wrote:
> both images into one using red and blue colors.
Put the two images next to each other, with the right-eye image on the
left, and look at it cross-eyed. Then you don't need glasses or anything.
--
Darren New / San Diego, CA, USA (PST)
This octopus isn't tasty. Too many
tentacles, not enough chops.
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"Shurakai" <nomail@nomail> wrote in message
news:web.44bfb52a58e020876b3522e90@news.povray.org...
> "Nekar" <ger### [at] rpmmagcoza> wrote:
>> Lovely. I still want to see something like this with the electron fields
>> rendered instead of the connector sticks. Maybe it would look too
>> confusing.. or maybe it could look very pretty...
>>
>>
>> --
>> -Nekar Xenos
>> "The truth is out there"
>
> Hi Nekar,
>
> i also would like to render electron density-maps, because that's what You
> measure in a X-ray diffraction experiment. But up to now i didn't find a
> way to convert the different slices of fourier-maps or electron density
> maps to DF3 format. It would be very nice to render the unit cell, or even
> only the asymmetric unit in a way that it represents the electron density
> in the space by illuminating clouds. If someone have a good idea i would
> appreciate a lot to hear it.
>
I was thinking if you have the mathematical formula for electrion density,
you could use it as a function for media density.
--
-Nekar Xenos
"The truth is out there"
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"Nekar" <ger### [at] rpmmagcoza> wrote in message
news:44c08088@news.povray.org...
>
> "Shurakai" <nomail@nomail> wrote in message
> news:web.44bfb52a58e020876b3522e90@news.povray.org...
>> "Nekar" <ger### [at] rpmmagcoza> wrote:
>>> Lovely. I still want to see something like this with the electron fields
>>> rendered instead of the connector sticks. Maybe it would look too
>>> confusing.. or maybe it could look very pretty...
>>>
>>>
>>> --
>>> -Nekar Xenos
>>> "The truth is out there"
>>
>> Hi Nekar,
>>
>> i also would like to render electron density-maps, because that's what
>> You
>> measure in a X-ray diffraction experiment. But up to now i didn't find a
>> way to convert the different slices of fourier-maps or electron density
>> maps to DF3 format. It would be very nice to render the unit cell, or
>> even
>> only the asymmetric unit in a way that it represents the electron density
>> in the space by illuminating clouds. If someone have a good idea i would
>> appreciate a lot to hear it.
>>
>
> I was thinking if you have the mathematical formula for electrion density,
> you could use it as a function for media density.
Perhaps even a simple semi-transparent surface shell for a containing volume
at an arbitrary confidence level?
DLM
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I was delighted to see that molecular models with electron densities have
been done with POV
See:
http://csi.chemie.tu-darmstadt.de/ak/immel/molarch/molarch_examples.html
DLM
"Nekar" <ger### [at] rpmmagcoza> wrote in message
news:44be0a77@news.povray.org...
> Lovely. I still want to see something like this with the electron fields
> rendered instead of the connector sticks. Maybe it would look too
> confusing.. or maybe it could look very pretty...
>
>
> --
> -Nekar Xenos
> "The truth is out there"
>
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Nice. It's a pity MolArch is not available to the hobbiest though.
--
-Nekar Xenos
"The truth is out there"
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"Shurakai" <nomail@nomail> wrote in message
news:web.44bfb52a58e020876b3522e90@news.povray.org...
> "Nekar" <ger### [at] rpmmagcoza> wrote:
>> Lovely. I still want to see something like this with the electron fields
>> rendered instead of the connector sticks. Maybe it would look too
>> confusing.. or maybe it could look very pretty...
>>
>>
>> --
>> -Nekar Xenos
>> "The truth is out there"
>
> Hi Nekar,
>
> i also would like to render electron density-maps, because that's what You
> measure in a X-ray diffraction experiment. But up to now i didn't find a
> way to convert the different slices of fourier-maps or electron density
> maps to DF3 format. It would be very nice to render the unit cell, or even
> only the asymmetric unit in a way that it represents the electron density
> in the space by illuminating clouds. If someone have a good idea i would
> appreciate a lot to hear it.
>
How about a media density function based on
http://home.att.net/~mopacmanual/node379.html
I'm not sure how to use !n in Pov-Ray though.
--
-Nekar Xenos
"The truth is out there"
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Nekar nous apporta ses lumieres en ce 29/08/2006 04:27:
> "Shurakai" <nomail@nomail> wrote in message
> news:web.44bfb52a58e020876b3522e90@news.povray.org...
>> "Nekar" <ger### [at] rpmmagcoza> wrote:
>>> Lovely. I still want to see something like this with the electron fields
>>> rendered instead of the connector sticks. Maybe it would look too
>>> confusing.. or maybe it could look very pretty...
>>>
>>>
>>> --
>>> -Nekar Xenos
>>> "The truth is out there"
>> Hi Nekar,
>>
>> i also would like to render electron density-maps, because that's what You
>> measure in a X-ray diffraction experiment. But up to now i didn't find a
>> way to convert the different slices of fourier-maps or electron density
>> maps to DF3 format. It would be very nice to render the unit cell, or even
>> only the asymmetric unit in a way that it represents the electron density
>> in the space by illuminating clouds. If someone have a good idea i would
>> appreciate a lot to hear it.
>>
>
> How about a media density function based on
> http://home.att.net/~mopacmanual/node379.html
>
> I'm not sure how to use !n in Pov-Ray though.
>
>
n! is factorial. It's the product of all integers lower or egual to the value of
n: n*(n-1)*(n-2)*....*1
0! = 1 by deffinition.
1! = 1
2! = 2
3! = 6
4! = 24
5! = 120
6! = 720
7! = 5 040
8! = 40 320
9! = 362 880
10! = 3 628 800
11! = 39 916 800
.
.
.
You can use a macro to make the calculations, or use an aray that you fillup
with the results.
--
Alain
-------------------------------------------------
BACHELOR: A man who never makes the same mistake once.
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