On Oct 24, 2005, at 6:00 p, Richelle Jean wrote:
Hi,
Here are two links that could give some light on the problem:
- http://www.rcsb.org/pdb/docs/format/pdbguide2.2/
PDB_format_1992.pdf : this is the "Atomic coordinate and
bibliographic entry format description - February 1992"
"For protein coordinate sets containing hydrogen atoms, the IUPAC-
IUB rules have been followed. Recommendation rule number 4.4 has
been modified as follows: When more than one hydrogen atom is
bonded to a single non-hydrogen atom, the hydrogen atom number
desidnation is given as the first character of the atom name raster
tha as the las character (e.g. Hbeta1 is denoted 1HB)"
- http://www.bmrb.wisc.edu/ref_info/atom_nom.tbl which describes
the "Correlation of hydrogen atom naming systems" in different
applications.
hi Jean,
thanks for the references; I see now where it is documented. a bit
frustrating that this issue is not clearly stated or referenced in
the most recent guide at <http://www.rcsb.org/pdb/docs/format/
pdbguide2.2/guide2.2_frame.html>.
regards,
tim
--
Timothy Driscoll
molvisions - see. grasp. learn.
<http://www.molvisions.com/>
earth:usa:virginia:blacksburg
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