Re: [AMBER] trouble with pdb4amber

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Mon, 26 Feb 2018 10:45:03 -0500

On Mon, Feb 26, 2018 at 9:49 AM, Jennifer L. Muzyka <
jennifer.muzyka.centre.edu> wrote:

>
>
> Sent from my iPad
>
> > On Feb 25, 2018, at 12:53 PM, David A Case <david.case.rutgers.edu>
> wrote:
> >
> >> On Sun, Feb 25, 2018, Jennifer L. Muzyka wrote:
> >>
> >> We are working through the tutorials for AmberTools 17 found in the
> >> Amber 2017 manual. We get stuck on the one involving pdb4amber (page
> >> 200). When we use the command pdb4amber -i orig.pdb, -o new.pdb —reduce
> >> —dry, we get a message that says
> >
> >> Traceback (most recent call last):
> >> File “/opt/amber16/bin/pdb4amber”, line 6, in <module>
> >> from pdb4amber import pdb4amber
> >> ImportError: No module named pdb4amber
> >
> > This indicates that your python installation is not correct for Amber.
> >
> > 1. Did you accept the offer to install miniconda when you configured
> > AmberTools? If not, what other choices did you make?
> >
>



> I can see miniconda in the amber16 directory. Is it correct to assume
> that I accepted the offer to install it?
>

yes, you installed it correctly. Have you tried my suggestion earlier yet?
"source amber.sh" and try again.

Hai


>
> > 2. What is the first line of $AMBERHOME/bin/pdb4amber? (Note this file
> > just loads other python modules, which do the real work.)
>
>
> >
> > ...thx...dac
> >
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 26 2018 - 08:00:03 PST
Custom Search