[modeller_usage] problems with heteroatoms

["Knoll, Michael" <>]

Hi modellers,

I have some problems with including heteroatoms in my models.

In my pdb-template file there is an HETATM entry at the end (in this case it´s 
CA).


I've switched the HETATM_IO option ?on? in the modeller top-file.

Now if I add the residue type number ?3? at the end of my alignment, it looks 
like this :

>P1;755
structure:755: : : : : : : : 
. . . THANRLKLAGV3*
>P1;5
sequence:5: : : : : : : : 
. . . THANRLLLAGV3*

This additional entry leads to models which have the correct heteroatom 
modelled.

Now I want to change the residue type number ?3? into a ?wildcard? so that in 
other cases every possible heteroatom could be modelled without looking at the 
template pdb-file. If  I place  ?.? instead of  ?3?, the modeller log-file 
shows following error-massage : ?Alignment sequence not found in PDB file:?

Can you tell me if it´s possible to use such a wildcard, or do I have to select 
the right residue type number for each HETATM-type.

Thanks in advance, Michael


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