Closed cxhernandez closed 10 years ago
You're right. There are a couple places where MSMBuilder master isn't updated to mdtraj-0.8 yet. I think in CreateAtomIndices there are a couple lines that need to change too.
I fixed a related issue (in project.py) in #372.
@cxhernandez: do you have the traceback for this?
CreateAtomIndices is actually fine.
---------------------------------------------------------------------------
ImportError Traceback (most recent call last)
<ipython-input-1-91e0525542cd> in <module>()
----> 1 from msmbuilder import tpt
2 import numpy as np
3 import scipy.io as sio
4 import networkx as nx
5 from __future__ import print_function
/Users/cu3alibre/anaconda/lib/python2.7/site-packages/msmbuilder-2.8-py2.7-macosx-10.5-x86_64.egg/msmbuilder/__init__.py in <module>()
47 __all__ = ["geometry", "metrics", "msm_analysis", "MSMLib", "clustering", "project", "reduce"]
48
---> 49 import clustering, geometry, metrics, msm_analysis, MSMLib, clustering, project, reduce
50 from project import Project
/Users/cu3alibre/anaconda/lib/python2.7/site-packages/msmbuilder-2.8-py2.7-macosx-10.5-x86_64.egg/msmbuilder/project/__init__.py in <module>()
----> 1 from project import Project
2 from builder import ProjectBuilder, FahProjectBuilder
/Users/cu3alibre/anaconda/lib/python2.7/site-packages/msmbuilder-2.8-py2.7-macosx-10.5-x86_64.egg/msmbuilder/project/project.py in <module>()
33 import mdtraj as md
34 from mdtraj import io
---> 35 from mdtraj.trajectory import HDF5TrajectoryFile
36 import logging
37 from msmbuilder.utils import keynat
ImportError: No module named trajectory
project.py
was the issue
Okay. @kyleabeauchamp fixed this in #372
I'm trying to use
msmbuilder.tpt
but it seems thatmdtraj.trajectory
is still a dependency. I believe it should be changed tomdtraj.core.trajectory
.