在scipion框架中使用eman2程序的插件
scipion-em-eman2的Python项目详细描述
这个插件为EMAN2软件套件的几个程序提供包装。
安装
您需要使用2.0版本的scipion才能运行这些协议。要安装插件,有两个选项:
- 稳定版本
scipion installp -p scipion-em-eman2
开发人员版本
- download repository
git clone https://github.com/scipion-em/scipion-em-eman2.git
- install
scipion installp -p path_to_scipion-em-eman2 --devel
EnM2二进制文件将自动安装在插件中,但您也可以链接现有的安装。
- Default installation path assumed is ^{tt1}$, if you want to change it, set EMAN2_HOME in ^{tt2}$ file pointing to the folder where the EMAN2 is installed.
IMPORTANT: From plugin version 1.0.5 EMAN2DIR was renamed to EMAN2_HOME. Please update your scipion.conf file!
- If you need to pass special options to mpirun (like a hostfile), you can use the EMANMPIOPTS shell variable, but most users should not need this. A typical usage would be ^{tt3}$. You should only do this if necessary, though (note that then when supplying the parameter –parallel=mpi:n:scratch_directory, ‘n’ is no longer the number of cpus to use, but rather the number of nodes listed in myhosts.txt).
- The default scratch directory is assumed /tmp/. You can change it by setting EMAN2SCRATCHDIR in your shell environment.
要检查安装,只需运行以下scipion测试之一:
scipion test eman2.tests.test_protocols_eman.TestEmanTiltValidate scipion test eman2.tests.test_protocols_eman.TestEmanRefineEasy scipion test eman2.tests.test_protocols_eman.TestEmanRefine2DBispec scipion test eman2.tests.test_protocols_eman.TestEmanRefine2D scipion test eman2.tests.test_protocols_eman.TestEmanReconstruct scipion test eman2.tests.test_protocols_eman.TestEmanInitialModelMda scipion test eman2.tests.test_protocols_eman.TestEmanInitialModelGroel scipion test eman2.tests.test_protocols_eman.TestEmanInitialModelSGD scipion test eman2.tests.test_protocols_eman.TestEmanCtfAuto scipion test eman2.tests.test_protocols_eman.TestEmanAutopick
执行scipion test --show--grep eman
支持的版本
2.21,2.3
2018年,插件更新为支持最新版本(当时)的eman2:2.21。这需要大量的代码重构,旧的eman2版本2.11的支持不得不停止。增加了一些新的协议:2d改进、倾斜验证、ctf自动和新的e2boxer。scipion-1.x之后的完整变更日志可用here。
协议
- boxer (old and new interactive e2boxer.py)
- Boxer Auto(全自动新Boxer in>;=2.21)
- CTF自动
- initial model
- 初始型号SGD
- 重建
- 优化二维
- 细化二维二次曲线
- 轻松优化
- sparx picker
- 倾斜验证
参考文献
- 唐,彭,鲍德温,曼,江,里斯,卢德克。(2007)eman2:一个可扩展的电子显微镜图像处理套件。结构生物学杂志。157,38-46。PMID:16859925