[gmx-users] Residue abbreviation list with explanations

[Mark Abraham]

Sagittarius wrote:
> Dear Gromacs users,
>  
> Could you please help me to find a Residue abbreviation list web site.
> I need to replace UNK below with something meaningful.
>  
> formaldehyde.pdb looks like this:
> COMPND    UNNAMED                                                    
> REMARK   1 PDB to MMOD atom-numbering translation table; the mmod numbers
> REMARK   1 pertain to the .dat file from which this file was created,
> REMARK   1 not to one created from this file:
> REMARK   1  PDB:     1     2     3     4 
> REMARK   1 MMOD:     1     2     3     4 /
> HETATM    1  C01 UNK     0       0.000   0.302   0.000  0.00  0.00   0
> HETATM    2  O02 UNK     0       0.000   1.510   0.000  0.00  0.00   0
> HETATM    3  H03 UNK     0      -0.960  -0.262   0.000  0.00  0.00   0
> HETATM    4  H04 UNK     0       0.960  -0.262   0.000  0.00  0.00   0
> CONECT    1    3    4
> CONECT    1    2
> CONECT    1    2
> CONECT    2    1
> CONECT    2    1
> CONECT    3    1
> CONECT    4    1
> END

Um no, you don't need a residue abbreviation list. See 
http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database

Mark