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Description
I want to install this package under a conda environment but have been encountering syntax errors when I try to run the scripts.
I first attempted to install with the following commands:
conda create -n pdbtools python=2.7 conda activate pdbtools pip install git+git://github.com/harmslab/pdbtools
However when I then try and run a command from the package I get the following error:
pdb_bfactor
Traceback (most recent call last): File "/Users/samuelhaysom/opt/anaconda3/envs/pdbtools/bin/pdb_bfactor", line 19, in <module> from pdbtools.helper import cmdline File "/Users/samuelhaysom/opt/anaconda3/envs/pdbtools/lib/python2.7/site-packages/pdbtools/__init__.py", line 1, in <module> from . import addH, atom_renumber, bfactor, centerasu, centermass, clean, closecontacts, contact, contactplot, coulomb, dist_filter, disulfide, download, exper, iondist, ligand, moment, mutator, neighbors, offset, oligomer, param, residue_renumber, sasa, satk, seq, splitnmr, subset, torsion, watercontact, helper File "/Users/samuelhaysom/opt/anaconda3/envs/pdbtools/lib/python2.7/site-packages/pdbtools/addH.py", line 14, in <module> from .helper import container, cmdline, geometry ImportError: No module named helper
I then tried to install as in the instructions for this repo, after first creating and activating a conda environment as follows:
conda create -n pdbtools python=2.7 conda activate pdbtools git clone https://github.com/harmslab/pdbtools cd pdbtools pip install -e .
I then got a different error:
Traceback (most recent call last): File "/Users/samuelhaysom/opt/anaconda3/envs/pdbtools/bin/pdb_bfactor", line 7, in <module> exec(compile(f.read(), __file__, 'exec')) File "/Users/samuelhaysom/pdbtools/scripts/pdb_bfactor", line 19, in <module> from pdbtools.helper import cmdline File "/Users/samuelhaysom/pdbtools/pdbtools/__init__.py", line 1, in <module> from . import addH, atom_renumber, bfactor, centerasu, centermass, clean, closecontacts, contact, contactplot, coulomb, dist_filter, disulfide, download, exper, iondist, ligand, moment, mutator, neighbors, offset, oligomer, param, residue_renumber, sasa, satk, seq, splitnmr, subset, torsion, watercontact, helper File "/Users/samuelhaysom/pdbtools/pdbtools/addH.py", line 16, in <module> from .disulfide import pdbDisulfide File "/Users/samuelhaysom/pdbtools/pdbtools/disulfide.py", line 19, in <module> from .clean import stripACS File "/Users/samuelhaysom/pdbtools/pdbtools/clean.py", line 269 print(log[-1], end=' ') ^ SyntaxError: invalid syntax
Not sure if there is a simple solution here but can I suggest that at some point it would be good to make this package compatible with either PYPI or anaconda to make installation easier and the package more accessible.