Dear All,
I'm facing an unexpected error with pdb4amber or python.
I'm using this on IIT-BHU paramshivay cluster, thus don't have admin access
to immediately reinstall anything.
Thus can you please suggest an option that doesn't require admin access to
get around this error in pdb4amber or python.
Is it possible to have a user-specific installation of ambertools on
super-computers that doesn't require admin access?
Looking forward to your valuable suggestions.
Thank you and best regards.
Traceback (most recent call last):
File "/home/apps/amber/tmp/install_gnu/bin/pdb4amber", line 11, in
<module>
load_entry_point('pdb4amber==1.7.dev0', 'console_scripts',
'pdb4amber')()
File
"/home/apps/amber/tmp/install_gnu/miniconda/lib/python2.7/site-packages/pkg_resources/__init__.py",
line 489, in load_entry_point
return get_distribution(dist).load_entry_point(group, name)
File
"/home/apps/amber/tmp/install_gnu/miniconda/lib/python2.7/site-packages/pkg_resources/__init__.py",
line 2852, in load_entry_point
return ep.load()
File
"/home/apps/amber/tmp/install_gnu/miniconda/lib/python2.7/site-packages/pkg_resources/__init__.py",
line 2443, in load
return self.resolve()
File
"/home/apps/amber/tmp/install_gnu/miniconda/lib/python2.7/site-packages/pkg_resources/__init__.py",
line 2449, in resolve
module = __import__(self.module_name, fromlist=['__name__'], level=0)
File
"/home/apps/amber/tmp/install_gnu/lib/python2.7/site-packages/pdb4amber-1.7.dev0-py2.7.egg/pdb4amber/__init__.py",
line 1, in <module>
from . import pdb4amber
File
"/home/apps/amber/tmp/install_gnu/lib/python2.7/site-packages/pdb4amber-1.7.dev0-py2.7.egg/pdb4amber/pdb4amber.py",
line 7, in <module>
import parmed
File
"/home/apps/amber/tmp/install_gnu/lib/python2.7/site-packages/ParmEd-at20RC5_54.g5702a232fe.dirty-py2.7-linux-x86_64.egg/parmed/__init__.py",
line 22, in <module>
from parmed import unit, utils
File
"/home/apps/amber/tmp/install_gnu/lib/python2.7/site-packages/ParmEd-at20RC5_54.g5702a232fe.dirty-py2.7-linux-x86_64.egg/parmed/unit/__init__.py",
line 27, in <module>
from parmed.unit.unit import Unit, is_unit
File
"/home/apps/amber/tmp/install_gnu/lib/python2.7/site-packages/ParmEd-at20RC5_54.g5702a232fe.dirty-py2.7-linux-x86_64.egg/parmed/unit/unit.py",
line 35, in <module>
from parmed.utils.six import iterkeys
File
"/home/apps/amber/tmp/install_gnu/lib/python2.7/site-packages/ParmEd-at20RC5_54.g5702a232fe.dirty-py2.7-linux-x86_64.egg/parmed/utils/__init__.py",
line 3, in <module>
from parmed.utils.pairlist import find_atom_pairs
File
"/home/apps/amber/tmp/install_gnu/lib/python2.7/site-packages/ParmEd-at20RC5_54.g5702a232fe.dirty-py2.7-linux-x86_64.egg/parmed/utils/pairlist.py",
line 5, in <module>
import numpy as np
ImportError: No module named numpy
Regards,
Dr. Vaibhav A. Dixit,
Asst. Prof., Department of Medicinal Chemistry,
National Institute of Pharmaceutical Education and Research, Guwahati
(NIPER-G), Sila Katamur (Halugurisuk), P.O.: Changsari, Dist: Kamrup, Pin:
781101, Assam, India
Mob. No. +91-7709129400,
Email: vaibhav.niperguwahati.in; vaibhavadixit.gmail.com
https://niperguwahati.ac.in/DOC/profile/dixit.pdf
https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
ORCID ID: https://orcid.org/0000-0003-4015-2941
NCBI bibliography:
https://www.ncbi.nlm.nih.gov/myncbi/1Jgo56b26_AYKd/bibliography/public/
http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
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Received on Thu Dec 02 2021 - 20:00:02 PST
