Autodock vina 源码编译安装

发表于2020年9月5日由daizao 
sudo yum install imake #install makedepend
sudo yum install libicu-devel #install unicode/icu for boostregex
sudo yum install openmpi openmpi-devel  #install opemnpi
sudo yum install glibc-static

tar -zxf boost_1_41_0.tar.gz
cd boost_1_41_0
./bootstrap.sh --prefix=/opt/sysoft/boost-1.41.0
./bjam install
cd ..
rm -rf boost_1_41_0

tar -zxf autodock_vina_1_1_2.tgz
cd /home/train/autodock_vina_1_1_2/build/linux/release
vim Makefile
#chang the path of g++ and base path
#BASE=/opt/sysoft/boost-1.41.0
#GPP=/usr/bin/g++
export LIBRARY_PATH=/opt/sysoft/boost-1.41.0/lib:$LIBRARY_PATH
export CPLUS_INCLUDE_PATH=/opt/sysoft/boost-1.41.0/include:$CPLUS_INCLUDE_PATH
#make depend
make
mv autodock_vina_1_1_2 /opt/biosoft/
mkdir /opt/biosoft/autodock_vina_1_1_2/bin
cp /opt/biosoft/autodock_vina_1_1_2/build/linux/release/vina* /opt/biosoft/autodock_vina_1_1_2/bin/
此条目发表在Linux, Molecular Dynamics分类目录。将固定链接加入收藏夹。

《Autodock vina 源码编译安装》有4条回应

  1. 李唐说：
    2021年4月14日 下午7:39

    老哥 你是在集群上装的吗 gcc版本号用的多少

    回复

发表评论

邮箱地址不会被公开。 必填项已用*标注

To create code blocks or other preformatted text, indent by four spaces:

    This will be displayed in a monospaced font. The first four 
    spaces will be stripped off, but all other whitespace
    will be preserved.
    
    Markdown is turned off in code blocks:
     [This is not a link](http://example.com)

To create not a block, but an inline code span, use backticks: 

Here is some inline `code`.

For more help see http://daringfireball.net/projects/markdown/syntax

Protected with IP Blacklist CloudIP Blacklist Cloud