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Error when import Insty #2001

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groponp opened this issue Nov 23, 2024 · 1 comment

groponp commented Nov 23, 2024

Dear all I'm trying use Insty, but getting error:

from prody import *
pdbfile = "coor_D2T28H7.pdb"
dcdfile = "traj_D2T28H7_noPBC.dcd" 

atoms = parsePDB(pdbfile)
dcd = Trajectory(dcdfile)

dcd.link(atoms) 
dcd.setCoords(atoms)

And when I want use Interactions(), is given me the following error:

---------------------------------------------------------------------------
NameError                                 Traceback (most recent call last)
Cell In[4], line 1
----> 1 Interactions() 

NameError: name 'Interactions' is not defined

Contributor

jamesmkrieger commented Nov 23, 2024

You have to use the development version of prody from github. We haven't yet released v2.5 with InSty to PyPI and conda-forge

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