b. 网站Unofficial Windows Binaries for Python Extension Packages可以下载numpy+mkl的组合安装包。 5. 安装PyMOL 将PyMOL安装包拷贝到c盘根目录下,打开powershell,输入命令:python -m pip install c:\pymol-2.4.0-cp38-cp38-win_amd64.whl,按回车。最终出现Successfully installed pymol-2.4.0,说明成功安装PyM...
更新了atom,bitarray,boost_histogram,coverage,cx_Freeze,cx_Oracle,fonttools,freetype_py,glfw,lxml,pymatgen,srsly,spacy,tiledb等第三方包,共计新增155个 === 2020.7.9 更新了bitarray,boost_histogram,cftime,Cython,discretize,GDAL,obspy,OpenPIV等第三方包,共计新增84个 === 2020.7.1 更新了GDAL3.1.1,...
OpenGL Extension Wrangler - runtime environment libpng16-16(>= 1.6.2-1) PNG library - runtime (version 1.6) libstdc++6(>= 9) GNU Standard C++ Library v3 libxml2(>= 2.7.4) GNOME XML library pymol-data(= 2.3.0+dfsg-1build1) ...
Note that multiple versions of PyMOL can operate side-by-side on a computer, so you do not have to delete that old version of PyMOL. JupyterLab can use the jupyterlab-snippets extension to make the snippets available via the snippets pull-down menu. Conda, pip, or the extension manager...
在库文件的安装目录下打开cmd命令行,使用命令:python setup.py intall 使用国内镜像源安装:pip install numpy -i https://mirrors.aliyun.com/pypi/simple/ 更新库为:pip install --upgrade numpy 卸载为: pip uninstall numpy pip批量安装txt中的包 1.将需要安装的包保存在aa.txt中 到aa.txt所在目录,运行...
到Python Extension Packages for Windows - Christoph Gohlke (uci.edu)去下载所需要的依赖包: pycld2 PyICU Morfessor 具体下载的版本请根据你的 Python 版本进行对应下载,还有一点请注意,我的 Python 3.7 版本在安装 PyICU 2.6 版本时,会报错平台不支持,此时可以尝试安装旧的版本解决该问题; ...
pymol: optional For viewing molecular structures All the above packages can be installed via the python package manager pip (or easy_install). However, some of the packages (numpy, scipy) have additional dependencies and it can be more convenient to use the linux package manager (apt, yum, ...
Other require- ments: At least Python 3.8 and the packages requests, numpy, msgpack and net- workx need to be installed. For plotting purposes matplotlib and for molecular visualization PyMOL is additionally required. License: BSD 3-Clause. Any restrictions to use by non-academics: None ...
[9], to computational chemistry packages such as RDKit [10] and OpenBabel [11], to post-processing software such as AmberTools CPPTRAJ [2], LAMMPS Pizza.py [1], PoreBlazer [12], VMD [13], PyMol [14] and MDTraj [15], and software specifically designed to create polymer structures ...
To create publication-ready molecular visualizationsAtomArrayobjects can be transferred to the popularPyMOLsoftware suite [63] with the help of theAmmoliteextension package (https://ammolite.biotite-python.org/). The structure migration uses thePythonAPI ofPyMOL, eliminating the need of intermediate ...