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Mac OS Catalina 10.15.5
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.
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.
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.
I am trying to install ipython to eventually install pyrosetta as instructed by this guide:
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:
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...)
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.