Subject: Re: [modeller_usage] Quick Question on Automodel
From: Pedro Guillem <>
Date: Mon, 1 Mar 2021 20:01:05 +0100
Cc:
Thank you Ben.
Effectively. T should be 7 but it is being numbered as 4. Even with dashes indicating 6 gaps before the T.
Sorry if I wasn't clear. By offset I ment the output positions not following my alignment.
Yup. the "..." in the sequence is just the rest of the sequence (to make the message shorter) :)
Best
Pedro
On Mon, Mar 1, 2021, 7:42 PM Modeller Caretaker <">> wrote:
On 2/28/21 1:00 PM, Pedro Guillem wrote:
> I'm trying to model from a known template (ident 37%).
> The template is missing the first 3 residues in the structure.
>
> - I start reading the template at position 4.
> - I add 3 dashes to the beginning of the template to compensate for the
> missing residues. (otherwise I get a "residue mismatch" error from modeller)
Dashes/gaps do not have any effect on which residues are read from the
PDB file; this is controlled entirely by the PIR header (the line
starting with "structureX", where you - apparently correctly - have 4 as
the start residue number). Dashes/gaps only control the correspondence
between target and template residues.
> Here is a bit of my ali file. I want the TRL of the template to align
> with the TRM of the sequence.
Your alignment looks fine to me, assuming by "..." you mean "the rest of
the sequence goes here". (A literal "." has a special meaning to
Modeller; read in the manual about modeling with ligands.)
> When it finishes, the position of TRM has a different offset in relation
> to TRL