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issue in aroundPatch.py regarding DistanceSelection #82

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k-guruprasad opened this issue Nov 9, 2021 · 1 comment
Closed

issue in aroundPatch.py regarding DistanceSelection #82

k-guruprasad opened this issue Nov 9, 2021 · 1 comment

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@k-guruprasad
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Hi everyone,

I installed PyContact-1.0.4 in python 3.6 Anaconda environment and installation was successful.
While invoking pycontact from terminal, I am getting error message showing
ModuleNotFoundError: No module named 'MDAnalysis.core.Selection' related to below code in aroundPatch.py i.e

MDA_VERSION = int(MDAnalysis.version.split(".")[1])
if MDA_VERSION >= 16:
from MDAnalysis.core.selection import *
else:
from MDAnalysis.core.Selection import *

this error is due to new MDAnalysis-2.0.0 version and I solved this error by assigning MDA_version==16 and with this modification above error was solved.

When I run pycontact with modified file I am getting error message

NameError: name 'DistanceSelection' is not defined related to line 14 in aroundPatch.py

class AroundSelection(DistanceSelection):

Kindly suggest how to resolve this error

Thanking You

@maxscheurer
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Obsolete since aroundPatch.py hasn't been around for a while.

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