See 'help save'. Apparently there is no menu option for saving the 'all' group.
Jay
On Thu, 29 Mar 2007, Jagannath Mondal wrote:
Date: Thu, 29 Mar 2007 16:41:35 -0500
From: Jagannath Mondal <[EMAIL PROTECTED]>
To: Jay Mashl <[EMAIL PROTECTED]>,
Discussion list for GROMACS users <gmx-users@gromacs.org>
Subject: Re: [gmx-users] query about making a pdb file
Hi,
Thanks, But is it possible to get the corresponding PDB format of that
molcule from pymol after drawing it? Basically, I installed the pymol. But
I could not find an option for writing the corresponding PDB structure of
the entire molecule
Jagannath
On Mar 29, 2007, at 2:07 PM, Jay Mashl wrote:
PyMOL (http://pymol.sf.net) is one option for building the chain based on
natural amino acids and subsequently performing mutations.
Jay
On Wed, 28 Mar 2007, Jagannath Mondal wrote:
> Date: Wed, 28 Mar 2007 23:54:27 -0500
> From: Jagannath Mondal <[EMAIL PROTECTED]>
> Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
> To: Discussion list for GROMACS users <gmx-users@gromacs.org>
> Subject: [gmx-users] query about making a pdb file Hi all,
> I am a gromacs beginner. I am dealing with a 10-residue molecule each
> of which is un-natural amino acid called beta-peptide. I was wondering
> whether there is any option of making a PDB file so that I can use it to
> prepare the corresponding .gro file in gromacs. I somehow could generate
> the cartesian coordinates of the molecule. At least, can you suggest
> some software which are free and have mac-version so that I can generate
> the coresponding PDB file of the molecule from the cartesian coordinates.
> Thanks,
> Jagannath Mondal
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