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I am very new to the PyRosetta platform and was hoping to get some guidance on how I can do a SnugDock run from the PyRosetta interface with an antibody pdb and antigen pdb, as I know that the ROSIE queue can be quite long. I've seen the PyRosetta 4.0 documentation for SnugDock but am a little bit overwhelmed as I'm not too well versed in Python. Any level of guidance would be greatly appreciated!
I am trying to load a structure from PDB and then calculate pairwise residue energies between residues in the structure. For this, I want to first load the scorefxn and then the structure (or viceversa), but whenever I try, either of them gives me a segfault, i.e. if I do scorefxn = get_fa_scorefxn(); pose_from_pdb() the latter crashes and if I do the opposite, get_fa_scorefxn() crashes.
I am an undergraduate student researching with Pyrosetta for my lab this summer, and I am having difficulties appending/inserting residues into a pose. I would love some help.
I have tried using the grafting protocols (insert_pose_into_pose) but I just realized that there are methods such as append_polymer_residue_after_seqpos which seem to do what I want, perhaps more accurately.
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: