Yes, the PDB required format is H 32 - but the xHM symbol is: 'R 3 2 :H'
I guess the PHENIX group are trying to pressurise the wwwPDB to change..
symbol Hall ' R 3 2"'
symbol xHM 'R 3 2 :H'
symbol old 'H 3 2'
Anyway as a mere user compromise is probably the simplest solution!
Eleanor
James Stroud wrote:
> Disclaimer: Phaser is the greatest MR program I've ever seen.
>
> However:
>
> "The Hermann-Mauguin space group symbol is given without parenthesis,
> e.g., P 21 21 2 and using the full symbol, e.g., C 1 2 1 instead of C 2."
> -- The RCSB
> http://deposit.rcsb.org/adit/docs/pdb_atom_format.html
>
> I don't understand why specifications aren't consulted. It seems a lot
> easier to create a record that conforms to the most widely accepted
> specification than to invent a parser that can read any format one can
> possibly imagine.
> </Rant>
>
> James
>
>
> On Dec 14, 2009, at 9:04 AM, Eleanor Dodson wrote:
>
>> hypFdemo_28.pdb:
>> CRYST1 58.351 58.351 155.876 90.00 90.00 120.00 R 3 2 :H 1
>>
>> I dont hold a candle for either of these SGs but Phaser is now
>> outputting the R 3 2 :H and many many other CCP4 programs are then
>> falling over
>>
>> Can the symlib be modified to accept both?
>> Eleanor
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