Re: [AMBER] MMPBSA/ Parmed error

From: Jenny 148 <jenny.rs140.gmail.com>
Date: Sat, 6 Mar 2021 12:32:56 +0530

I still could not fix the issue. Could someone suggest a method to overcome
this?



On Thu, 4 Mar 2021 at 07:56, Hai Nguyen <nhai.qn.gmail.com> wrote:

> What's your setuptools version?
>
> e.g: amber.python -c 'import setuptools as s; print(s.__version))'
>
> Meanwhile, you can try the non-official fixes here:
> https://github.com/Amber-MD/pdb4amber/issues/85#issuecomment-723529395
>
> Hai
>
> On Wed, Mar 3, 2021 at 9:33 AM Sruthi Sudhakar <
> sruthisudhakarraji.gmail.com>
> wrote:
>
> > I am facing an exactly same issue. I have this error for parmed,
> MMPBSA.py
> > and pdb4amber.
> > When I type pdb4amber -h, I am getting this message:
> >
> > Traceback (most recent call last):
> > File "/opt/amber18/bin/pdb4amber", line 33, in <module>
> > sys.exit(load_entry_point('pdb4amber==1.7.dev0', 'console_scripts',
> > 'pdb4amber')())
> > File "/opt/amber18/bin/pdb4amber", line 22, in
> importlib_load_entry_point
> > for entry_point in distribution(dist_name).entry_points
> > File
> >
> >
> "/opt/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
> > line 558, in distribution
> > return Distribution.from_name(distribution_name)
> > File
> >
> >
> "/opt/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
> > line 215, in from_name
> > raise PackageNotFoundError(name)
> > importlib_metadata.PackageNotFoundError: No package metadata was found
> for
> > pdb4amber
> >
> > And for pamed -h
> >
> > File "/opt/amber18/bin/parmed", line 33, in <module>
> > sys.exit(load_entry_point('ParmEd==3.2.0', 'console_scripts',
> > 'parmed')())
> > File "/opt/amber18/bin/parmed", line 22, in importlib_load_entry_point
> > for entry_point in distribution(dist_name).entry_points
> > File
> >
> >
> "/opt/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
> > line 558, in distribution
> > return Distribution.from_name(distribution_name)
> > File
> >
> >
> "/opt/amber18/miniconda/lib/python3.7/site-packages/importlib_metadata/__init__.py",
> > line 215, in from_name
> > raise PackageNotFoundError(name)
> > importlib_metadata.PackageNotFoundError: No package metadata was found
> for
> > ParmEd
> >
> > Kindly help.
> >
> > Regards,
> > Sruthi Sudhakar
> >
> >
> > On Wed, Mar 3, 2021 at 7:01 PM David A Case <david.case.rutgers.edu>
> > wrote:
> >
> > > On Wed, Mar 03, 2021, Jenny 148 wrote:
> > >
> > > >ModuleNotFoundError: No module named 'parmed'
> > > >I did source /apps/amber18/amber.sh
> > >
> > > Just to check:
> > >
> > > what is the result of "echo $PYTHONPATH" ?
> > > do you have a parmed file in /apps/amber18/bin ?
> > > if you type "/apps/amber18/bin/pdb4amber" do you get a usage
> > statement?
> > >
> > > ...dac
> > >
> > >
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> > >
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> >
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-- 
Jenny R.S
Sir Syed College,
Taliparamba,
Kannur,
Kerala
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Received on Fri Mar 05 2021 - 23:30:02 PST
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