Comments (3)
ssalentin
commented on July 18, 2024
I cannot reproduce this error. The example runs through fine on Python 3.6.6.
Python 3.6.6 |Anaconda, Inc.| (default, Oct 9 2018, 12:34:16)
Type 'copyright', 'credits' or 'license' for more information
IPython 7.2.0 -- An enhanced Interactive Python. Type '?' for help.
In [1]: from plip.modules.preparation import PDBComplex
In [2]: my_mol = PDBComplex()
In [3]: my_mol.load_pdb('1EVE.pdb')
In [4]: print(my_mol)
Protein structure 1eve with ligands:
NAG:A:3002
NAG:A:3001
NAG:A:3004
NAG:A:3005
E20:A:2001
In [5]: my_bsid = 'E20:A:2001'
In [6]: my_mol.analyze()
In [7]: my_interactions = my_mol.interaction_sets[my_bsid]
In [8]: print([pistack.resnr for pistack in my_interactions.pistacking])
[84, 279]I attached a file listing the packages and versions used in my Conda environment.
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PatWalters
commented on July 18, 2024
Thanks! That did the trick. In case anyone else tries this, I also had to add the openbabel channel to conda.
conda config --add channels openbabel
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ssalentin
commented on July 18, 2024
Great to hear it worked now. Thanks for the feedback.
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