It's now clear why mine produces such an error: I'm not properly adhering
to the fixed column width standard.
I don't think the example I linked to should generate the error it does,
however.
David
On 3 February 2013 22:21, N David Brown <hubd...@gmail.com> wrote:
> File now attached for your convenience.
>
> David
>
>
> On 3 February 2013 22:21, N David Brown <hubd...@gmail.com> wrote:
>
>> After quickly writing a MolFile generator for some fictional structures,
>> the generated MolFile strings load acceptably in Jmol but produce several
>> error lines containing '0 0' is not a recognized symbol.
>>
>> Any idea why? Here's an example file:
>>
>> unknown
>> NDB/matchbOx/03022013221425
>>
>> 4 4 0 0 0 0 0 0 0 0 1 V2000
>> 0.0000 0.0000 0 C 0 0 0 0 0 0 0 0 0 0 0 0
>> 0.0000 1.0000 0 C 0 0 0 0 0 0 0 0 0 0 0 0
>> 1.0000 0.0000 0 C 0 0 0 0 0 0 0 0 0 0 0 0
>> 1.0000 1.0000 0 C 0 0 0 0 0 0 0 0 0 0 0 0
>> 1 4 1 0 0 0 0
>> 1 2 1 0 0 0 0
>> 2 3 1 0 0 0 0
>> 3 4 1 0 0 0 0
>> M END
>> $$$$
>>
>> Even the cited benzene example
>> here<http://en.wikipedia.org/wiki/Chemical_table_file>generates a ''
>> is not a recognized symbol.
>>
>> David
>>
>
>
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