tar zxvf openbabel-2.4.1.tar.gz mkdir build cd build cmake ../openbabel-2.4.1 -DPYTHON_BINDINGS=ON #编译安装Python绑定 make make test make install 第七步:环境变量添加 gedit ~/.bashrc #open babel export PATH=/usr/local/bi
pip install openbabel Option 2: 下载最新版本并自行安装 tar -xzvf openbabel-3-1-0.tar.gz cd openbabel-openbabel-3-1-0 python setup.py install Option 3: 构建Open Babel cd openbabel mkdir ob-build cd ob-build cmake -DRUN_SWIG=ON -DPYTHON_BINDINGS=ON .. make install发布...
$cmake../openbabel-2.3.1-DPYTHON_BINDINGS=ON 这样的话就会安装python扩展了,按这条指令cmake之后你的openbabel最后会安装在 /usr/local/名目下,所以最后需要超级权限,假如没有可以在后边加参数确定安装位置 $cmake../openbabel-2.3.1-DCMAKE_INSTALL_PREFIX=~/openbabel ...
git clone https://github.com/openbabel/openbabel.git cd openbabel git checkout openbabel-3-1-1 mkdir build cd build cmake -DWITH_MAEPARSER=OFF -DWITH_COORDGEN=OFF -DPYTHON_BINDINGS=ON -DRUN_SWIG=ON .. make make install
dockerbioinformaticspdbprotein-structuresingularitypython-bindingsscientific-computingopenbabelplip UpdatedApr 10, 2025 Python nbehrnd/datawarrior_saturate_Murcko_scaffolds Star2 Code Issues Pull requests Artifical "saturation" of Bemis-Murcko scaffolds retrieved with DataWarrior. ...
1$ mkdir build2$ cd build3$ cmake .. -DCMAKE_INSTALL_PREFIX=<your directory prefix>/openbabel-3.1.1/ -DPYTHON_BINDINGS=yes -DEIGEN3_INCLUDE_DIR=<your directory prefix>/eigen-eigen-5a0156e40feb 4$ make -j8 5$ make test 6$ make install...
dockerbioinformaticspdbprotein-structuresingularitypython-bindingsscientific-computingopenbabelplip UpdatedJan 24, 2025 Python oddt/oddt Star427 Code Issues Pull requests Open Drug Discovery Toolkit pythoncheminformaticsscoringdockingscreeningrdkitopenbabel
软件包: python3-openbabel (3.1.1+dfsg-9ubuntu5) [ports] [universe] Chemical toolbox library (Python bindings) 其他与 python3-openbabel 有关的软件包 下载python3-openbabel 硬件架构软件包大小安装后大小文件 ppc64el641.7 kB4,304.0 kB[文件列表]...
Python bindings, Pybel: calccharges() and convertdbonds() added (Patrick Fuller, Björn Grüning...
问如何在macOS塞拉利昂10.12.3上安装openbabel for Python3.6ENRuby是一种动态编程语言，可用于编写从...