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Re: [modeller_usage] Modelling nucleic acids



Hello!

Hopefully others will have more detailed responses, but here is something that might help you.

In modelling my protein of interest with a ligand I obtained the same error message as you have. What I had to do was to modifiy the sequence headers in the alignment file. In the first description line for each sequence and template, the total number of residues needs to include the ligand residues.

I am also trying to model a nucleic acid and have succeeded with a simpler (ATP) ligand just within the last few days.

I will be working on including a tRNA in my model in the next few days/weeks and will share any useful info and tips.

-Charlotte Habegger-Polomat




 wrote:

Hello Modeller Caretaker

I request your help with modelling nucleic acids using Modeller.

Reading through the archives, I have done the following:
(1) modified the restyp.lib file for Modeller to recognise my 1-letter
codes for the nucleic acids (ADE, THY, GUA, CYT), with the modified
contents of the file as below:
112 | ADE                 | ! | ADE  |
114 | CYT                 | + | CYT  |
120 | GUA                 | ^ | GUA  |
136 | THY                 | & | THY  |

(2) modified my pdb file to include the 3-letter pdb codes (ADE, CYT, GUA,
THY) instead of 1-letter pdb codes (A,C,G,T,) in columns 18-20 of the
residue name, and

(3) have used the alignment of the modified nucleic acid codes (as
specified in restyp.lib) in my alignment file.

However, I still get a bunch of warnings and a couple of errors; and I am
unable to understand what changes I need to make to model nucleic acids
using Modeller.

This is the final error although I cannot find any correction to make to
my alignment file:
rdpdb___303E> No atoms were read from the specified input PDB file, since
the starting residue number and/or chain id in MODEL_SEGMENT (or the
alignment file header) was not found; requested starting position: FIRST:
@.

I would appreciate your suggestions as to what I am doing incorrectly.

With thanks and regards
Nisha

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