NAME

       pdb_sort - manual page for pdb_sort 2.5.0

DESCRIPTION

       pdb_sort Sorting key is not valid: '-'

       Sorts the ATOM/HETATM/ANISOU/CONECT records in a PDB file.

       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.

       Residues are sorted according to their residue sequence number and then by their insertion
       code (if any).

       Chains are sorted by their chain identifier.

       Finally,  the  file  is  sorted  by  all keys, and the records are placed in the following
       order:

              - ATOM/ANISOU, intercalated if the latter exist - HETATM - CONECT,  sorted  by  the
              serial number of the central (first) atom

       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.

   Usage:
              python pdb_sort.py -<option> <pdb file>

   Example:
       python pdb_sort.py 1CTF.pdb
              # sorts by chain and residues

       python pdb_sort.py -C 1CTF.pdb
              # sorts by chain (A, B, C ...) only

       python pdb_sort.py -R 1CTF.pdb
              # sorts by residue number/icode only

       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.