Hi,
there is a mistake in the write('PDB') output:
ATOM 1 N LEU A 1 -20.262 -10.014 -0.741 1.00 45.64 N
# original pdb atom line
ATOM 2 CA LEU A 1 -20.917 -11.314 -0.405 1.00 45.20 C
ATOM 1 N LEU A 1 -20.262 -10.014 -0.741 0.00 45.63 N
# after jmol write('PDB')
ATOM 2 CA LEU A 1 -20.917 -11.314 -0.405 0.00 45.20 C
http://bmerc-www.bu.edu/needle-doc/latest/atom-format.html#pdb-atom-name-anomalies
http://www.wwpdb.org/documentation/format32/sect9.html#ATOM
the atom name must be located in column 13-16 and column 13 & 14 contain the
_right justified_ atomic symbol. However, jmol left justies it.
Alex
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