Re: how to remove all hydrogen atoms from PDB file?

From: Olya Kravchenko (okrav_at_ucdavis.edu)
Date: Wed Apr 21 2004 - 16:34:41 CDT

• Next message: Gianluca Interlandi: "What, if no temperatue control specified?"
• Previous message: Matt Harrington: "opinions on queueing system choices?"
• In reply to: J. Rui Rodrigues: "Re: how to remove all hydrogen atoms from PDB file?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Thanks a lot!

On Tuesday 20 April 2004 07:01 am, J. Rui Rodrigues wrote:
> Hi,
> You can do this easily with VMD:
>
> mol load pdb your.pdb
> set sel [atomselect top "not hydrogen"]
> $sel writepdb new_noH.pdb
>
>
> Rui Rodrigues
>
> Olya Kravchenko <okrav_at_ucdavis.edu> escreveu:
> > Hi all! Is there any way to remove all hydrogen atoms from pdb file
> > automatically? I've heard something called awk can do it...can somebody
> > explain me how it works and how to use it? Thanks in advance!
> >
> > Olya

• Next message: Gianluca Interlandi: "What, if no temperatue control specified?"
• Previous message: Matt Harrington: "opinions on queueing system choices?"
• In reply to: J. Rui Rodrigues: "Re: how to remove all hydrogen atoms from PDB file?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:38:36 CST