文章目录
- [1. Rosetta 介绍](#1. Rosetta 介绍)
- 2.下载
- [2. Rosetta 安装](#2. Rosetta 安装)
- [3. 验证安装](#3. 验证安装)
1. Rosetta 介绍
很久很久之前就对Rosetta有所耳闻，有一篇文章叫做denovo protein design，说的就是用rosetta来设计蛋白质。
rosetta是david baker团队设计的软件，早期只是一个蛋白质结构预测软件，但是随着软件的更新和迭代，现在已经可以用来处理很多蛋白质设计的问题了。rosetta的官网是：
https://www.rosettacommons.org/
rosetta官网的介绍：
Overview
The Rosetta software suite includes algorithms for computational modeling and analysis of protein structures. It has enabled notable scientific advances in computational biology, including de novo protein design, enzyme design, ligand docking, and structure prediction of biological macromolecules and macromolecular complexes.
Rosetta is available to all non-commercial users for free and to commercial users for a fee. License Rosetta to get started.
Rosetta development began in the laboratory of Dr. David Baker at the University of Washington as a structure prediction tool but since then has been adapted to solve common computational macromolecular problems.
Development of Rosetta has moved beyond the University of Washington into the members of RosettaCommons, which include government laboratories, institutes, research centers, and partner corporations.
The Rosetta community has many goals for the software, such as:
Understanding macromolecular interactions
Designing custom moleculesDeveloping efficient ways to search conformation and sequence space
Finding a broadly useful energy functions for various biomolecular representationsrosetta
rosetta中文版本的介绍
rosetta官网图片：
rosetta的相关论文，从2015年开始
2.下载
直接使用命令git clone https://github.com/RosettaCommons/rosetta.git或者按照下面的步骤一步一步来：
首先我们打开rosetta的网站，然后按照图片上的操作来点击。
这里我们下载学术版本
根据箭头指引找到地址，然后使用下面的命令下载，或者直接下载压缩包
powershell
git clone https://github.com/RosettaCommons/rosetta.git
2. Rosetta 安装
本次安装是在Ubuntu服务器上安装，如果你是下载的压缩包，首先需要把安装包上传到服务器上，我是直接git clone的。
下面我们就开始安装。
第二步，进入文件夹：
powershell
cd rosetta/source第三步，执行安装指令：
powershell
python3 ./scons.py -j35 mode=release bin #使用35个线程来编译，根据系统的 CPU 核心数调整这个参数以提高编译速度运行之后等着吧，据说35个线程需要半个小时，数据源自Rosetta安装攻略:开启蛋白质研究之门
完成，没记确切时间，大概30-60分钟吧
以上指令需要加上sudo来获取root权限，这样才能有执行文件的权限。
如果失败还可以用docker安装，省去上面的所有步骤，直接
powershell
docker pull rosettacommons/rosetta或者使用conda 安装
见官网https://github.com/RosettaCommons/rosetta
3. 验证安装
powershell
/rosetta/rosetta.source.release-371/main/source$ ./bin/AbinitioRelax.default.linuxgccrelease安装完成，底下是正常的错误
