Re: [AMBER] PDB Modification

From: Osman, Roman <roman.osman.mssm.edu>
Date: Mon, 30 Mar 2020 15:30:39 +0000

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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=shNJtf5dKgNcPZ6Yh64b-A&r=q8vs_fbTOEJjOKNIgjun94sbqYxVkxfOTdUE1xTyUk0&m=S8bT994DJ43DzF0MDWSG34nX81WWO8SKVFZIJf1qESg&s=P8sMVGBAkzzFgT3EUX-kRZEi7wZeAWZ6kk0Lm3kSOrE&e=
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 30 2020 - 09:00:02 PDT
Custom Search