Instructions for Installing PyRosetta on Windows 10 with Anniversary Update
Page created 10/2016 using Windows 10 Home, version 1607
This article is intended to guide a user through the process of updating Windows 10 with the Anniversary Update, enabling BASH, and installing PyRosetta. The process will require at least one reboot of the computer. If the Anniversary Update is not installed, plan for a longer window of time, in order to install the update. If it is already installed, skip to step 2.
Make sure Windows is up to date on your computer.
a. Open Settings. This can be done by clicking the gear symbol in the bottom left when you tap the Windows key or click the bottom left icon. Alternatively, you can type ‘Settings’ into the search.
b. Go to Update & Security
c. Select the Windows Update tab on the left sidebar
d. Select Check for updates
e. If the Anniversary Update has not been installed, there will be updates listed to install. Install them. This may require some time and several reboots.
Windows must be in Developer mode to use BASH.
a. Again under Settings, go to Update & Security (see above)
b. Select the For developers tab on the left sidebar
c. Select Developer mode
a. Open the Control Panel. This can be done with a search, or by scrolling down the apps list to Windows System > Control Panel
b. Go to Programs
c. Go to Programs and Features
d. Go to Turn Windows features on or off, on the left sidebar
e. Check the box for Windows Subsystem for Linux. Note: This option is not available if the Anniversary Update has not been installed.
f. Implementing this change will require a reboot of your computer.
After the restart, BASH should be available. It can be accessed either with a search or by scrolling down the apps list to Bash on Ubuntu on Windows. There are several install options.
This approach is safer, but will require the use of that password and ‘sudo’ for subsequent steps. It reduces the risk of a casual user accidentally messing things up.
Open a BASH window and create a username and password.
With this approach, you are always the super user, so ‘sudo’ and a password input will not be necessary when using BASH from this account.
Open a Windows terminal (not BASH). A terminal can be opened either with a search, or by scrolling down the apps list to Windows System > Command Prompt
In the terminal window, enter the following:
Open a BASH window (see above) and type the following commands. Note that the 'sudo' may be omitted if the second BASH installation option was chosen. Otherwise, the first 'sudo' command will prompt you to put in the password you created.
There are several options for this. In either case, you should make or choose a directory for PyRosetta.
A. Go to the PyRosetta 4 downloads page.
B. Enter username and password
C. Click to PyRosetta4.Release.python27.linux
D. Download the latest .tar.bz2 file (ex: PyRosetta4.Release.python27.linux.release-116.tar.bz2)
E. Move the downloaded file to the desired directory.
F. In BASH, move to the PyRosetta directory
G. Unpack PyRosetta
More applicable for users planning to modify Rosetta
A. In BASH, enter the following command to install Git:
B. In BASH, move to the PyRosetta directory
C. Enter the following commands to download PyRosetta
D. Enter password
There may be a long delay without any message displaying in the terminal while the file copies into your directory. This is due to the large size of the file.
Congratulations, you now have PyRosetta! You can set it up with the following commands:
This moves you to the setup folder.
(Note that this requires the Python Setuptools which you installed with an apt-get command earlier.)
You can test PyRosetta with the following commands:
This moves you back up from the setup folder to the main PyRosetta4 directory.
All tests except 'C001_Carbohydrates_Demo01' are expected to pass at this time.
For further testing, try opening an interactive PyRosetta session yourself. The following commands are a simple example, and their expected output is shown below. We encourage you to play with PyRosetta further, and to try out the tutorials here.
Note that when you are done with ipython, you can exit the session and return to where you left off in BASH by typing control + d and entering y.
For instructions on installing PyMOL, see https://www.pymol.org/install
For tips using the PyMOL_Mover, see http://www.pyrosetta.org/pymol_mover-tutorial
Ideally, having PyMOL and PyRosetta installed, and running PyMOLPyRosettaServer.py in PyMOL should work properly. However, there are several issues that have been noted, and their solutions follow.
a. To see what ports are in use, open the Resource Monitor. This can be done with a search, or by scrolling down the apps list to Windows Administrative Tools > Resource Monitor
b. Go to the Network tab and open the Listening Ports dropdown. The used ports will all be listed in the Port column.
c. Select a port number that is not in use. This can be any number between 1024 and 65536. In the above example, 65002 was used.
d. Open PyMOLPyRosettaServer.py in a text editor.
e. Find the line, usually 1186 near the end of the file, that says
Change the port from 65000 to the new port number
f. In the future, when running PyRosetta and initiating the PyMol_Mover, instead of using the command
use the following
g. If desired, this change can be made to the following files in the PyRosetta 4 test folder to view the tests in PyMOL:
All tests except 'C001_Carbohydrates_Demo01' should pass.
You may have noted that control + shift + c and control + shift + v do not work in the Windows BASH as they do on Linux. The best solution we have found so far is to do the following:
Now, copying and pasting is possible. To copy text from the BASH window, highlight it and right click. Pasting can be done similarly; if you have copied text from elsewhere, right clicking into the command line will past the text into the BASH terminal.
Alternatively, copying and pasting can be made by right clicking the BASH icon and going to Edit.
We hope you have found this guide helpful.
For further questions, we encourage you to go to https://www.rosettacommons.org/forum