Hi folks,

I'm having a problem with Coot. Molecular Replacement solution to the phase problem. The MR model has one small stretch of residues missing, for which there is density in the maps (both normal and difference density maps). Hence I have built the model into this density. Except that there is a problem with the "standard" residue numbering scheme one has to use in this class of enzymes. The numbering jumps from residue number 103 to residue number 105. As a result, Coot won't accept that the residues be linked together and forces them apart. The initial refinement round has corrected this somewhat (but still not entirely, even though I had introduced a LINK record in the PDB file before refinement). So I don't seem to be able to use Coot to correct this.

Hence the question: is there any way to force Coot to accept that these two residues be connected together even though the numbering scheme is not sequential? I haven't found the correct option anywhere. And I really do not want to use a sequential numbering scheme for refinement and model building only, since it would means plenty of residue number editing (by hand) to re-introduce all of this weird residue numbering scheme, everywhere in the subunit.

Thanks,

Fred.

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