Dear friends,
I am new to rosetta and need some help. Basically, I have two questions:
1) My main interest is to use rosettafold to predict structures. Do I need to install pyrosetta for this purpose?
2) I was trying to install pyrosetta through conda. According to the instruction, I need to put "USERNAME:PASSWORD@conda.graylab.jhu.edu" in the .condarc file. Where should I obtain the usr/psw? I registered for rosetta and received an email containing a usr/psw with usr is "Academic_User". I can use them to download rosetta from www.rosettacommons.org. However, when I put them in the .condarc file and tried, I got the following error from conda:
"The credentials you have provided for this URL are invalid"
Thank you very much.
Michael
Hello Michael.
1) yes.
2) you can request an academic license specific for pyrosetta via the 'comotion' site:
https://els2.comotion.uw.edu/product/pyrosetta
Let me know if you encounter any further issues!
Thank you very much for your help! With your help I realized the license I requested is for rosetta not pyrosetta!
Can you brief me what is the difference between rosetta, pyrosetta, and rosettafold?
Thank you very much.
Michael
From: https://www.pyrosetta.org/faq#h.oi4s609oasmz
PyRosetta is a Python-script based front-end to the Rosetta molecular modeling suite. Rosetta, which is a collaborative project between more than 15 labs world-wide, requires users to have substantial experience in C++ and Rosetta software development to write custom algorithms. Through the use of Python-bindings to Rosetta C++ source code, PyRosetta allows the end-user to have access to the same Rosetta functions available to Rosetta developers, through an easy-to-use Python script based interface.
RoseTTAFold is the Baker-Lab attempt to reproduce the results of DeepMind's AlphaFold pipeline using Rosetta tools, introducing deep neural networks.