uhm, for the sake of completeness, ambertools==18.13 is uploaded to ambermd
channel to support python 3.7.
There is only Linux distribution for this version due to some technical
issues with MacOS mojave (already fixed in AmberTools 19).
So you if you are using Linux (>= centos 6), you can try: "conda install
ambertools=18.13 -c ambermd" with your python 3.7
Let me know if that doesn't work for you. Cheers.
Hai
On Fri, Apr 12, 2019 at 12:49 PM Hai Nguyen <nhai.qn.gmail.com> wrote:
> hi Austin,
>
> ambertools=18 does not support python 3.7 (AT18 was released a long time
> before python 3.7), that's why you got that error.
> Please use python 3.6 or pip install pdb4amber from git like you did or
> just wait for ambertools 19 (is due this month or next I guess).
>
> cheers.
> Hai
>
> On Fri, Apr 12, 2019 at 12:16 PM Paul, Austin <
> Austin.Paul.wyss.harvard.edu> wrote:
>
>> Is pdb4amber supposed to be installed with the ambertools suite?
>> I've installed ambertools=18 via conda (I tried both from
>> http://ambermd.org/downloads/ambertools/conda and 'ambermd' channels),
>> and whenever I try to use pdb4amber, I get the error message pasted below.
>>
>> I thought pdb4amber used to work out of the box with conda installs. Did
>> something change? I now have to install pdb4amber separately from git using
>> pip.
>>
>> Best,
>> Austin
>>
>> Traceback (most recent call last):
>> File "/home/ajp1/miniconda3/envs/b-building/bin/pdb4amber", line 6, in
>> <module>
>> from pkg_resources import load_entry_point
>> File
>> "/home/ajp1/miniconda3/envs/b-building/lib/python3.7/site-packages/pkg_resources/__init__.py",
>> line 3241, in <module>
>> ._call_aside
>> File
>> "/home/ajp1/miniconda3/envs/b-building/lib/python3.7/site-packages/pkg_resources/__init__.py",
>> line 3225, in _call_aside
>> f(*args, **kwargs)
>> File
>> "/home/ajp1/miniconda3/envs/b-building/lib/python3.7/site-packages/pkg_resources/__init__.py",
>> line 3254, in _initialize_master_working_set
>> working_set = WorkingSet._build_master()
>> File
>> "/home/ajp1/miniconda3/envs/b-building/lib/python3.7/site-packages/pkg_resources/__init__.py",
>> line 583, in _build_master
>> ws.require(__requires__)
>> File
>> "/home/ajp1/miniconda3/envs/b-building/lib/python3.7/site-packages/pkg_resources/__init__.py",
>> line 900, in require
>> needed = self.resolve(parse_requirements(requirements))
>> File
>> "/home/ajp1/miniconda3/envs/b-building/lib/python3.7/site-packages/pkg_resources/__init__.py",
>> line 786, in resolve
>> raise DistributionNotFound(req, requirers)
>> pkg_resources.DistributionNotFound: The 'pdb4amber==1.6.dev0'
>> distribution was not found and is required by the application
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
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Received on Fri Apr 12 2019 - 23:30:01 PDT
