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PyRosetta

PyRosetta Setup

Category: 
PyRosetta

Mac OS Catalina 10.15.5

Python 3.7

MinSizeRel.python37-258

Hello, I am having trouble setting up PyRosetta after it is installed on my computer. I have unpacked it but when I try to do - cd setup && sudo python setup.py install - in command line it asks for a password. The password I was given with my academic license does not work. Any help or guidance would be much appreciated.

Post Situation: 

Python3.8 release for Mac download is a dead link

Category: 
PyRosetta

I saw there was a release that's compatible with py3.8 but the links for Mac versions lead to a "Not Found" page and there aren't any links for this version in the archive either. Not sure if that's an issue on my end or there was an upload issue.

Post Situation: 

Availability of PyRosetta compiled with Python3.8

Category: 
PyRosetta

Hi,

I have a commercial licence for PyRosetta.  I recently upgraded to Ubuntu20.04, which comes with Python3.8.  I understand that you're planning on releasing PyRosetta compiled with Python3.8 and was wondering when that might be available.  I tried compiling PyRosetta myself (and have been previously sucessful with python3.6 on ubuntu18.04), but ran into issues compiling under stock Ubuntu20.04.

 

Thanks

Post Situation: 

can't install ipython + all tests fail

Category: 
PyRosetta

Hi all,

  I am trying to install ipython to eventually install pyrosetta as instructed by this guide:

http://www.pyrosetta.org/documentation/windows

However, I can't install iphyton (enable to locate package error) 

I tried many solutions that I found online, but all failed to solve it

Moreover, when I try to continue without solving it, all the tests fail. I checked the python version as recommanded here:

Post Situation: 

How to fold-and-dock in PyRosetta?

Category: 
Structure prediction
Docking
Symmetry
PyRosetta

I'd like to do something similar to regular Rosetta fold-and-dock but in PyRosetta.  I've looked at D060_Folding.py and D100_Docking.py examples and while I (mostly) understand what each is doing, I have no idea how to combine them.

How to get a foldtree with symmetry? (in my case it's just simple C3) 

How to combine folding and docking?  Just alternate calls to folding.apply(test_pose) and dock_prot.apply(test_pose)?  (It can't be that simple...)

Post Situation: 

getting .params file for a ligand composed of protein and lipid

Category: 
PyRosetta

Hi all,

 I have a ligand which is composed of protein+lipid and it is a big molecule(please see the attachment). How can I use molfile_to_params.py and get a .params file?  I tried it once, but it gave me several .params and several pdb files as output which I believe it is not right.

I highly appreciate your help.

Post Situation: 

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