I think that we should not modify standard file formats to add our own 
features.
We should keep the formats as they are supposed to exists without addition.

Bob Hanson wrote:
> no, of course not. This would be, ah, xyzi !
>
> Nicolas Vervelle wrote:
>
>   
>> Bob Hanson wrote:
>>  
>>
>>     
>>> Does anyone know what different file formats use to designate isotopes?
>>> I guess PDB uses "D" but what about other isotopes.
>>>
>>> I'm thinking of extending the XYZ reader to accept them like this:
>>>
>>> 13C    3.4   5.6   7.8
>>> C      2.3   4.4   4.4
>>> 12C    3.2   3.3   3.3
>>>
>>> Then at least we can have something to work with.
>>>  
>>>    
>>>
>>>       
>> Are you sure that the XYZ format is supposed to have isotopes number ?
>>
>> Nico
>>
>>
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