Re: [AMBER] packmol-memgen and parmed packages import error

From: Stephan Schott <schottve.hhu.de>
Date: Thu, 26 Apr 2018 12:25:44 +0200

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
Received on Thu Apr 26 2018 - 03:30:02 PDT
Custom Search