[gmx-users] Orientation of protein

Shima Arasteh shima_arasteh2001 at yahoo.com
Tue Sep 11 12:03:01 CEST 2012

Thanks for your reply.


From: Jianguo Li <ljggmx at yahoo.com.sg>
To: Shima Arasteh <shima_arasteh2001 at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Tuesday, September 11, 2012 2:29 PM
Subject: Re: [gmx-users] Orientation of protein

editconf -princ will put the long axis of the protein in x-direction, after that you may need editconf -rotate 0 90 0 -c to make it in z-direction


----- Original Message -----
From: Shima Arasteh <shima_arasteh2001 at yahoo.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Tuesday, 11 September 2012, 15:18
Subject: [gmx-users] Orientation of protein

Hi all,

I used this command to put the orientation of protein in z-direction, but didn't work!

# editconf -princ -f protein.pdb -o protein-princ.pdb

Any suggstions? Is it not the correct command? 

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