On Wed, Jan 20, 2016 at 3:06 PM, Dimitri Maziuk <dmaz...@bmrb.wisc.edu>
wrote:
> As much as PDB wants the old busted PDB format gone, they
are not offering a usable alternative that I know of.
Such as: a JSON file with predefined keys for all the bona-fide fields
originally defined by the PDB and additional predefined fields for data
that people often often overload the predefined fields with.
Then a set of dialects for common sets of field combinations used by
different software products. Included in each dialect would be keywords for
commonly used extensions; for instance, whether the current dialog expects
to see multiple CONECT records to indicate multiple bonds. If that keyword
was not specified, multiple CONECTs would be viewed as an exception.
Then, I suppose, a set of APIs to read the file, across some set of
languages.
-P.
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