Hey yall,
Im not really sure how this all works so I’ll just describe my phenomenon. Im running Ubuntu18.04. I switched using the conda installer to install the latest build of Pyrosetta4, but then I noticed I was missing some of the features which are pulled from Rosetta. The specific example I am working with is the ShapeComplimentarityCalculator example. When I install from the conda so that the latest Pyrosetta is running from :
/user/anaconda/3/env/pyrosetta/lib/python3.7/site-packages/pyrosetta-build-dir
Then if i drop into Ipython and import pyrosetta and pyrosetta.rosetta.core.scoring tab-select on sc.<tab> only returns the options of (Atom, ElectrostaticComplementarityCalculator, ElectrostaticComplementarityResults, ShapeComplementarityCalculatorException)
in other words MolecularSurfaceCalculator and ShapeComplementarityCalculator are missing.
This is validated if I try to run any code that calls ShapeComplementarityCalcultor.
However if I download the Pyrosetta.tar.bz2 and install with setup.py install –user, the pyrosetta libs go to
/home/.local/lib/python3.7/site-packages/pyrosetta-build-dir
Then the MolecularSurfaceComplementarityCalculator and ShapeComplementarityCalculator return. (and can also be run)
Im not really sure but I think this may have something to do with how pyrosetta pulls in programs from Rosetta and in the first case it isnt looking in the right place. Does anyone have any insight on making pyrosetta find the right rosetta in the conda install, or an otherwise solution to this issue? Thanks for your help!
Drew
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