In my experience a text editor is often still the fastest way to do jobs like this. A few hints:
- make sure the peptide has a unique chain name. Many packages will get very confused if you have two residues with the same chain and residue number.
- each chain should have a TER statement after it. Not all packages care about this, but many do.
- most packages will stop reading the PDB file when they hit an END statement. Anything pasted in after that will be ignored.
Hope this helps!
Tristan
Tristan Croll
Lecturer
Faculty of Health
School of Biomedical Sciences
Institute of Health and Biomedical Engineering
Queensland University of Technology
60 Musk Ave
Kelvin Grove QLD 4059 Australia
+61 7 3138 6443
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> On 28 Apr 2016, at 7:04 PM, chemocev marker <[log in to unmask]> wrote:
>
> Hi
> I am trying to take the peptide-ligand from 1 x-ray structure into the other x-ray structure. What I did is, I superimpose both structures and save the ligand as a PDB file and copy the text coordinates and paste it into the other X-ray structure, but it does not work. I know it can work but I don't know how to do that. CCP4MG program does not allow me to save the selected atom of 2 different PDB structure as one PDB file. If someone have any idea how it can be done.
>
> best
>
> Jiri
>
>
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