- pdb
a PDB structure object obtained from
read.pdb
.
- file
the output file name.
- xyz
Cartesian coordinates as a vector or 3xN matrix.
- type
vector of record types, i.e. "ATOM" or "HETATM",
with length equal to length(xyz)/3.
- resno
vector of residue numbers of length equal to
length(xyz)/3.
- resid
vector of residue types/ids of length equal to
length(xyz)/3.
- eleno
vector of element/atom numbers of length equal to
length(xyz)/3.
- elety
vector of element/atom types of length equal to
length(xyz)/3.
- chain
vector of chain identifiers with length equal to
length(xyz)/3.
- insert
vector of insertion code with length equal to
length(xyz)/3.
- alt
vector of alternate record with length equal to
length(xyz)/3.
- o
vector of occupancy values of length equal to
length(xyz)/3.
- b
vector of B-factors of length equal to length(xyz)/3.
- segid
vector of segment id of length equal to length(xyz)/3.
- elesy
vector of element symbol of length equal to length(xyz)/3.
- charge
vector of atomic charge of length equal to length(xyz)/3.
- append
logical, if TRUE output is appended to the bottom of an
existing file (used primarly for writing multi-model files).
- verbose
logical, if TRUE progress details are printed.
- chainter
logical, if TRUE a TER line is inserted at termination
of a chain.
- end
logical, if TRUE END line is written.
- sse
logical, if TRUE secondary structure annotations are written.
- print.segid
logical, if FALSE segid will not be written.