docs/old-html/online/pdb.html

   1 <title>pdb file format</title>
   2 <H3>Description</H3>
   3
   4 Files with the <a href="pdb.html">.pdb</a> extension are molecular
   5 structure files in the protein databank file format.  The protein
   6 databank file format describes the positions of atoms in a molecular
   7 structure. Coordinates are read from the ATOM and HETATM records,
   8 until the file ends or an ENDMDL record is encountered.
   9 GROMACS programs can read and write a simlation box in the
  10 CRYST1 entry.
  11 The pdb format can also be used as a trajectory format:
  12 several structures, seperated by ENDMDL, can be read from
  13 or written to one file.
  14
  15 <p>
  16 <h2>Example</h2>
  17 An pdb file should look like this
  18 <PRE>
  19 ATOM      1  H1  LYS     1      14.260   6.590  34.480  1.00  0.00
  20 ATOM      2  H2  LYS     1      13.760   5.000  34.340  1.00  0.00
  21 ATOM      3  N   LYS     1      14.090   5.850  33.800  1.00  0.00
  22 ATOM      4  H3  LYS     1      14.920   5.560  33.270  1.00  0.00
  23 ...
  24 ...
  25 </PRE>