How to set up Rosetta 3 in Mac OS

[Anonymous]

Hi,

I am brand new for Rosetta. I am planing to do homology modeling, protein-protein docking, and small molecule docking with Rosetta. I bought a MacBook Pro for these purposes, after consulting a few people in this field. I downloaded the most recent version of Rosetta, but I don’t know how to have Rosetta to run in my Mac. Your help will be greatly appreicated.

Zhanjun

[Anonymous]

Hi,

You have first to install scons on your mac. After that, just open a shell and go to rosetta_source/ folder. Then type

scons bin mode=release
or
scons bin mode=debug

to build the software. You can also use the option “-jx” where x is the number of cores you want scons to use for compiling Rosetta. Once the compilation is done, go to rosetta_source/bin/ and you’ll find the binary apps. It might be useful to look in the file rosetta_source/src/apps.src.settings to disable the apps you don’t want to be installed (because compiling everything takes much more time). To disable an app just comment the line with # character at the beginning of the line.

Hope this will help.
Alejandro

[Anonymous]

A) All you should need on a new macbook is the “Developer Tools”, which come on a CD (DVD?) with the computer: http://developer.apple.com/technologies/tools/

Scons can be installed as alejandro suggests. We also include a prepackaged Scons with Rosetta (you’ll see a link scons.py in the main code directory).

[Anonymous]

You might also find PyRosetta easier to get started. There is a mac library version which is straightforward to install.

[Anonymous]

Thank you very much for your help!

I just installed Xcode 3.2.3 on my Mac. Then how do I use it to run the Rosetta? Sorry for these simple questions for I really want to learn!

Zhanjun

[Anonymous]

Did you compile it yet?

“Running rosetta” is a vague term – what do you want to do with it? Which executeable? Presumably you are trying to dome something similar to a particular publication…?

[Anonymous]

Really appreciate your response!

I want to do a few things including homology modeling, protein-protein docking, small molecule docking but I want to start with homology modeling. The platform of this forum is a great place to communicate but somehow is limited. I am wondering if you are willing to help me further over the phone so you could give me guildance step by step. If you don’t mind, could you please email me your contact phone# and the best time I can reach you? My email address is houz@karmanos.org.

Thanks in advance!

[Anonymous]

We try to keep communication on the boards as much as possible – that way it’s stored “in public”, so the next person who has a question can just see the answers, instead of re-asking it. (As a relevant aside, I’m only vaguely familiar with homology modeling anyway).

The best way to make the forums work is to ask specific questions – the more specific your question is, the better I can answer. For example, you say you need help getting started, but where is started – did you get an academic license yet? Did you download the code? Did you untar it? Did you compile it? (I guess you’re at compiling but I’m not sure?)

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