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
