Hi Stephan,
Indeed, I had missed the sourcing amber.sh part. So silly of me!
Thank you,
Chetna
On Thu, Apr 26, 2018 at 12:25 PM, Stephan Schott <schottve.hhu.de> wrote:
> Hi Chetna,
> Did you install the miniconda distribution that comes with AmberTools? If
> so, this sounds like you might be missing the amber.sh/.csh sourcing step.
> Please let me know if this fixes your issue, otherwise you might want to
> check your PYTHONPATH environmental variable.
> Cheers,
>
> 2018-04-26 12:04 GMT+02:00 Chetna Tyagi <cheta231.gmail.com>:
>
> > Hi everyone,
> >
> > I just finished installing AmberTools18 and everything works fine except
> > packmol-memgen and parmed tools (Precisely the reason I installed
> > AmberTools18).
> >
> > This is the error report...
> >
> > Traceback (most recent call last):
> > File "/home/chetna/Downloads/amber18/bin/packmol-memgen", line 4, in
> > <module>
> > from packmol_memgen.main import *
> > ImportError: No module named packmol_memgen.main
> >
> >
> > And for* Parmed*...
> >
> > Traceback (most recent call last):
> > File "/home/chetna/Downloads/amber18/bin/parmed", line 6, in <module>
> > from pkg_resources import load_entry_point
> > File
> > "/home/chetna/Downloads/amber18/miniconda/lib/python2.7/
> > site-packages/setuptools-27.2.0-py2.7.egg/pkg_resources/__init__.py",
> > line 2985, in <module>
> > File
> > "/home/chetna/Downloads/amber18/miniconda/lib/python2.7/
> > site-packages/setuptools-27.2.0-py2.7.egg/pkg_resources/__init__.py",
> > line 2971, in _call_aside
> > File
> > "/home/chetna/Downloads/amber18/miniconda/lib/python2.7/
> > site-packages/setuptools-27.2.0-py2.7.egg/pkg_resources/__init__.py",
> > line 2998, in _initialize_master_working_set
> > File
> > "/home/chetna/Downloads/amber18/miniconda/lib/python2.7/
> > site-packages/setuptools-27.2.0-py2.7.egg/pkg_resources/__init__.py",
> > line 660, in _build_master
> > File
> > "/home/chetna/Downloads/amber18/miniconda/lib/python2.7/
> > site-packages/setuptools-27.2.0-py2.7.egg/pkg_resources/__init__.py",
> > line 968, in require
> > File
> > "/home/chetna/Downloads/amber18/miniconda/lib/python2.7/
> > site-packages/setuptools-27.2.0-py2.7.egg/pkg_resources/__init__.py",
> > line 854, in resolve
> > pkg_resources.DistributionNotFound: The 'ParmEd==3.0.0+57.g74a84d30'
> > distribution was not found and is required by the application
> >
> > When explicitly stated as Python2.7, I could use parmed.
> >
> > Assuming it is a Python version problem I am searching solutions on other
> > forums as well.
> >
> > Any suggestions are appreciated.
> >
> >
> > --
> > Best wishes
> > Chetna Tyagi
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Stephan Schott Verdugo
> Biochemist
>
> Heinrich-Heine-Universitaet Duesseldorf
> Institut fuer Pharm. und Med. Chemie
> Universitaetsstr. 1
> 40225 Duesseldorf
> Germany
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Best wishes
Chetna
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Received on Thu Apr 26 2018 - 04:30:02 PDT
