NAME

       pdb_sort - manual page for pdb_sort 2.5.1

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.

pdb_sort 2.5.1                                   September 2024                                      PDB_SORT(1)