RWBROOK interface functions: Miscellaneous.
PARAMETERS:
Zero return (=RWBERR_Ok) means
success, no warnings.
REMARKS:
WRemark1 replicates function
WRemark from former
rwbrook.f. While
WRemark physically added an arbitrary
line to the output file, WRemark1
fills the infomation, given in the
Line, in the corresponding fields
of the data structure associated with
the channel. It therefore relies on the validity of PDB syntax of the
Line. Note that it expects
Line to be a valid PDB card no matter
what the type of the file, associated with the channel, is
('PDB', 'CIF'
or 'BIN').
WRemark1 has one more parameter than
WRemark from former
rwbrook.f: the return code
integer iRet.
subroutine WRemark1 ( iUnit,Line,iRet )
3-char code |
1-char code |
3-char code |
1-char code |
---|---|---|---|
ALA | A | ARG | R |
ASN | N | ASP | D |
CYS | C | CYH | C |
GLN | Q | GLU | E |
GLY | G | HIS | H |
ILE | I | LEU | L |
LYS | K | MET | M |
PHE | F | PRO | P |
SER | S | THR | T |
TRP | W | TYR | Y |
VAL | V | HEM | X |
WAT | O | SUL | U |
END | Z | DUM | Z |
If an input 3-/1- character code is not recognized, the function returns 'Z'/'DUM', correspondingly.