nomail@nomail nous apporta ses lumieres ainsi en ce 12/08/2004 16:58... :

>Yes..draw a cube around 256 atoms (sphere). I have never used POV-ray
>before..Sorry, if this sounds very trivial.
>
>"Josh" <som### [at] microsoftcom> wrote:
>  
>
>>>I would like to start using POV-ray to render images of configurations
>>>      
>>>
>>from
>>    
>>
>>>my molecular simulations. I have been using VMD to do this, but I havent
>>>been able to draw my simulation box around my atoms using VMD. Is there an
>>>easy way to do this using POV-ray? I have the configuration in xyz format
>>>      
>>>
>> <>
>> Do you mean draw a box?
>
A start is to put all of those atoms in an union. Then, you can use 
min_extent and max_extent to get the corners of the box that is to 
contain your atoms.
Something like:

#declare Molecule = union{... put your atoms here ...}
union{
    box{min_extent{Molecule},max_extent{Molecule} pigment{rgbf<1,1,1,0.8>}}
    object{Molecule}//not using pigment here: Assuming that your atoms 
are colour coded, blue=nitrogen, red=oxigen, black=carbon, white=hydrogen...
}

This have the advantage that the box is aotomaticaly sized to your 
molecule, and will follow if you change your data.

Alain

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