This is an archive copy of the IUCr web site dating from 2008. For current content please visit https://www.iucr.org.
[IUCr Home Page] [CIF Home Page] [mmCIF Home Page]

Re: entry name

Paula Fitzgerald (paula_fitzgerald@Merck.Com)
Mon, 25 Sep 95 10:35:59 EDT


Frances Bernstein writes:

> I found the PDB entry name in many fields:
> 
>     _atom_sites.entry_id                '5HVP'
>     _cell.entry_id                      '5HVP'
>     _cell_measurement.entry_id          '5HVP'
>     _computing.entry_id                 '5HVP'
>     _database.code_PDB                  5HVP
>     _database_2.database_code     5HVP
>     _diffrn.entry_id                    '5HVP'
>     _diffrn_measurement.entry_id        '5HVP'
>     _diffrn_radiation.entry_id             '5HVP'
>     _entry.id                          5HVP
>     _phasing_isomorphous.parent         'PDB entry 5HVP'
>     _refine.entry_id                    '5HVP'
>     _reflns.entry_id                   '5HVP'
>     _struct.entry_id             '5HVP'
>     _symmetry.entry_id                  '5HVP'
> 
> 1. Why is the entry name not in quotes for some while it is in
>    quotes for the others?

Since 5HVP contains no white space, it really doesn't require that it be
surrounded by single quotes.  Conversely, it is perfectly valid to surround
it by quotes as well.  But for the sake of not confusing people, I agree
that we should be consistent throughout, so I have put single quotes around
all of the above.  I have also put them in the same column - again this is
not required, but it is neater.

> 2. Shouldn't the data for _phasing_isomorphous.parent be '5HVP' rather
>    than 'PDB entry 5HVP'?
  
I think the answer here is no, as the structure used as an isomorphous parent
need not be a PDB entry - for instance the above could easily say something
like  'unpublished structure of H17K mutant'.

Paula
   
********************************************************************************
 Dr. Paula M. D. Fitzgerald  ______________ voice and FAX: (908) 594-5510
   Merck Research Laboratories ______________ email: paula_fitzgerald@merck.com
     P.O. Box 2000, Ry50-105     ______________ or bean@merck.com           
       Rahway, NJ 07065  USA 
         (for express mail use 126 E. Lincoln Ave. instead of P. O. Box 2000)  
********************************************************************************