A little molecule with its packing diagram in the background.
Used a "water"-box to hide the low quality background image, an image of a
plant from which the substance was extracted the first time.
Crystallographic data was exported to pov-format by using ORTEP3 for
Windows.


Best regards to the community, Shu.

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Attachments:
Download 'ortep_50.jpg' (249 KB)

Preview of image 'ortep_50.jpg'

Please tell us something about this molecule.
Can you do double bonds?
DLM
"Shurakai" <nomail@nomail> wrote in message 
news:web.44bcec86bebb893b6b3522e90@news.povray.org...
>A little molecule with its packing diagram in the background.
> Used a "water"-box to hide the low quality background image, an image of a
> plant from which the substance was extracted the first time.
> Crystallographic data was exported to pov-format by using ORTEP3 for
> Windows.
>
>
> Best regards to the community, Shu.
>
>
>

Post a reply to this message

It is a nice image, there is something about the colours of certain images
when viewed on LCD monitors that make the image seem more 3D than normal.
It is an interesting effect that is probably lost on anyone who still has
an old CRT monitor. Or maybe I just need new glasses..

Sean

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"Shurakai" <nomail@nomail> wrote:
> A little molecule with its packing diagram in the background.
> Used a "water"-box to hide the low quality background image, an image of a
> plant from which the substance was extracted the first time.
> Crystallographic data was exported to pov-format by using ORTEP3 for
> Windows.
>
>
> Best regards to the community, Shu.

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?

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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] 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.

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"

Post a reply to this message

"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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