.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.49.2.
.TH PDB_SORT "1" "July 2022" "pdb_sort 2.5.0" "User Commands"
.SH NAME
pdb_sort \- manual page for pdb_sort 2.5.0
.SH DESCRIPTION
pdb_sort Sorting key is not valid: '\-'
.PP
Sorts the ATOM/HETATM/ANISOU/CONECT records in a PDB file.
.PP
Atoms are always sorted by their serial number, meaning the original ordering
of the atoms within each residue are not changed. Alternate locations are sorted
by default.
.PP
Residues are sorted according to their residue sequence number and then by their
insertion code (if any).
.PP
Chains are sorted by their chain identifier.
.PP
Finally, the file is sorted by all keys, and the records are placed in the
following order:
.IP
\- ATOM/ANISOU, intercalated if the latter exist
\- HETATM
\- CONECT, sorted by the serial number of the central (first) atom
.PP
MASTER, TER, END statements are removed. Headers (HEADER, REMARK, etc) are kept
and placed first. Does NOT support multi\-model files. Use pdb_splitmodel, then
pdb_sort on each model, and then pdb_mkensemble.
.SS "Usage:"
.IP
python pdb_sort.py \-<option> <pdb file>
.SS "Example:"
.TP
python pdb_sort.py 1CTF.pdb
# sorts by chain and residues
.TP
python pdb_sort.py \fB\-C\fR 1CTF.pdb
# sorts by chain (A, B, C ...) only
.TP
python pdb_sort.py \fB\-R\fR 1CTF.pdb
# sorts by residue number/icode only
.PP
This program is part of the `pdb\-tools` suite of utilities and should not be
distributed isolatedly. The `pdb\-tools` were created to quickly manipulate PDB
files using the terminal, and can be used sequentially, with one tool streaming
data to another. They are based on old FORTRAN77 code that was taking too much
effort to maintain and compile. RIP.