Re: [AMBER] PDB Modification

From: ankita mehta <mehtaroadies.gmail.com>
Date: Mon, 30 Mar 2020 21:25:23 +0530

You mean manually ..
I should interchange N to C and H to O manually in pdb file.
 And for sequence inversion ?
I should rewrite the pdb file manually?
Ist copy the 15th residue and then 14th.....till 1.

Is not there any command to do it.

On Mon 30 Mar, 2020, 9:00 PM Osman, Roman, <roman.osman.mssm.edu> wrote:

> You can switch the C=O with the N-H.
> The force field is the same so you can minimize it and that should do it.
>
> Roman Osman
> Sent from my iPhone
>
> > On Mar 30, 2020, at 9:45 AM, ankita mehta <mehtaroadies.gmail.com>
> wrote:
> >
> > ´╗┐USE CAUTION: External Message.
> >
> > Hii all,
> > I have a pdb file of say 15 residues.
> > I want to invert the sequence of residues i.e. i want (15,14,.........1)
> > from N terminal to C terminal.
> > without changing the coordinate positions.
> > Second i want to invert chirality also , all L- amino acid to D-amino
> acid
> > conversion.
> >
> > How this can be acccomplished ?
> >
> > Thanks
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Received on Mon Mar 30 2020 - 09:00:02 PDT
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