File format for het_pairs.lst file

This file lists the Het Groups in each PDB entry.

Each line shows the PDB code, a colon and then a list of Het Groups found in that PDB entry, separated by semi-colons.

Each Het Group is identified by its 3-character "residue" name, including any leading spaces.


100d :  SPM;
101d :  CBR;  NT;  BR;  MG;
101m :  SO4; HEM; NBN;  FE;
102d :  TNT;
102l :  BME;  CL;
102m :  SO4; HEM;  FE;
103l :  BME;  CL;
103m :  SO4; HEM; NBN;  FE;
104m :  SO4; HEM; NBN;  FE;
105m :  SO4; HEM; NBN;  FE;