[modeller_usage] problems with heteroatoms

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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