The large size of a PDF file won’t permit to send it by email because of the probable limitation on the maximum size of attachments. In Linux you can compress a PDF file from the command line without losing its quality, with the help of ps2pdf tool, that is a part of ghostscript suite.
Adapted from https://drive.google.com/viewerng/viewer?a=v&pid=sites&srcid=ZGVmYXVsdGRvbWFpbnxweXJvc2V0dGF8Z3g6NjA4OWZhYjZlN2YyOWZiNQ
PyRosetta is fairly simple to install on Windows, assuming Python is installed. However, it does take large amounts of RAM (you'll need a computer with >4GB), so you may need to use the Linux version for older computers.
- Download Python 2.7. You MUST use the 64-bit version. Link: https://www.python.org/downloads/ (Make sure to select the option to add python to your path)
- Install iPython. Open a command prompt, and type
python -m pip install ipython
. This should download and install ipython in one step. - Get pyreadline from https://pypi.python.org/pypi/pyreadline/2.0 (Download the 64-bit version, pyreadline-2.0.win-amd64.exe). Run the exe once download is complete. (This provides a bunch of tab-completion and other handy features, it isn't necessary, but you want it.)
- Get a PyRosetta license. These are free for academic/non-commercial use. Go to: http://c4c.uwc4c.com/express_license_technologies/pyrosetta
- Once your license is processed (which should only take a couple minutes), you'll receive an email with a username and password and, a link to the download.
- Download the most recent version of the PyRosetta windows from here. You'll want the exe for the highest numbered release version (i.e. PyRosetta.Windows.64Bit.monolith.mode=release.branch=release-r##.exe).
- When the download completes, run the exe to install PyRosetta
- Two shortcuts should appear on the desktop, one for 'iPython PyRosetta shell' and on for 'PyMOL PyRosetta Link'. Delete the second one, as that link method is not the one we'll be using.
- Open the ipython shell using the remaining shortcut. type:
from rosetta import *
rosetta.init()
- If you get a message ending with something like the following, you've successfully installed PyRosetta.
core.init.random: RandomGenerator:init: Normal mode, seed=-1088387864 RG_type=mt19937
Adapted from http://www.pymolwiki.org/index.php/Windows_Install#Pre-compiled_PyMOL
- Create a folder (e.g. C:PyMOL_Install) to hold the files
- From http://www.lfd.uci.edu/~gohlke/pythonlibs/ download:
- pymol-1.7.6.0-cp27-none-win_amd64.whl
- pymol_launcher-1.0-cp27-none-win_amd64.whl
- numpy-1.9.2+mkl-cp27-none-win_amd64.whl
- Pmw-2.0.0-py2-none-any.whl
- Move the files to the folder you created
- Start a command prompt, and move to the directory you saved the files in:
cd C:PyMOL_Install
- Assuming you added python to you path earlier, run the command:
python -m pip install --no-index --find-link='%CD%' --pre pymol_launcher-1.0-cp27-none-win_amd64.whl
- If there are errors, try installing the
.whl
files in this order:numpy
,Pmw
,pymol-1.7.6.0
,pymol_launcher
- If there are no errors, you should be able start PyMOL using C:Python27PyMOL.exe
- Create a shortcut on your desktop to make starting PyMOL easier.
Adapted from http://www.pyrosetta.org/pymol_mover-tutorial
- Start PyMOL
- In the command line (upper window), type
run C:Program FilesPyRosettaPyMOLPyRosettaServer.py
- You should see a message just above saying:
PyMOL <---> PyRosetta link started!
at 127.0.0.1 port 65000
If it doesn't work, check if PyRosetta installed to the above path (which it should have if you followed the instructions on this page). If the path is different, modify the run command to match. - Go to the 'File' menu and select 'Edit pymolrc'.
- Add the same run command to the file, then save it. This will start the PyRosetta link automatically every time you run PyMOL.