>> The 'CIFReader' in CDK is only a partial reader.
>
> Correct. The CIF format is copyrighted (or even patented...) and you can
> call  a reader a CIF reader if and only if it reads the *full* spec. The
> CDK reader  does not do that.

Understood :-)

>> Egon put in comments
>> saying that it is ad hoc and only extracts some fields. It looks to me
>> like it extracts:
>>   1. cell data
>>   2. atom coordinates
>>   3. _symmetry_space_group_name_H-M
>>
>> Q: In the context of Jmol, would it be useful to have a reader that
>> only supports these items?
>
> It did not support more fields, because those were not used then...
> since Jmol  can now display B-factor, occupency it makes sense to read
> those too...

Good.

>> The PDB offically supports/promotes mmCIF. The .pdb reader in Jmol now
>> extracts quite a bit of information from .pdb files.
>
> Yes, it makes sense to read those fields from mmCIF too...

OK


Migel




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