IPCAS-1.2.11使用教程
1.下载IPCAS-1.2.11
Linux 版本:
http://cryst.iphy.ac.cn/Download/IPCAS/Ipcas_source_linux_1.2.11.tar.gz
Mac 版本:
http://cryst.iphy.ac.cn/Download/IPCAS/Ipcas_source_mac_1.2.11.tar.gz
2.解压缩
3.来到ipcas目录下
cd Ipcas_source_linux_1.2.11
或
cd Ipcas_source_mac_1.2.11
4.运行安装程序
Linux:
./ ipcas_install_linux.tcsh
Mac:
./ipcas_install_mac.tcsh
下面以linux系统为例介绍安装过程
/work2/share/IPCAS_CENTOS6.5/Ipcas_source_linux_1.2.11
(当前工作路径)
##########################################
User: dingwei. Software: IPCAS1.2
(使用者和IPCAS版本)
Please make sure CCP4,SHELX,ARP/wARP,PHENIX have benn installed in this computer and can be read by dingwei.
(由于IPCAS需要有CCP4,SHELX,ARP/wARP,PHENIX支持,所以在安装IPCAS之前要确保这些软件已经安装了)
And please add the path of setup envfile of CCP4,SHELX,ARP/wARP,PHENIX to /home/dingwei/.cshrc or /home/dingwei/.bashrc
(良好的习惯,是将这些软件的配置文件也写入到~/.bashrc或~/.cshrc里面。)
If <sudo> is used for software installation, please add the path of setup envfile of CCP4,SHELX,ARP/wARP,PHENIX to /root/.cshrc or /root/.bashrc
(如果你是用sudo来安装上述软件,那么事实上你是在用root的环境变量,所以要将这些软件的配置文件写入到/root/.cshrc or /root/.bashrc里头。)
Please make sure you have WRITE previlige in /work2/share/IPCAS_CENTOS6.5/Ipcas_source_linux_1.2.11 and all of the envfile in /work2/share/IPCAS_CENTOS6.5/Ipcas_source_linux_1.2.11 not belong to root!
(最后需要确保你在当前路径下有写的权限,而且,这里面的envfile不要属于root。一般情况下,这些条件都能满足,只是个别情况需要用户注意。)
##########################################
Install start! The old version will be remove!
Continue Install? (Y/N)
(下面开始安装,选择Y新版本将会覆盖旧版本)
Continue install and remove the old version
Please choose the install mode: A:(Automatically) S:(Semi-automatically)
(输入A将会自动安装,不过很有可能报错,输入S是半自动安装)
(如果输入A:程序会依次检测gfortran,CCP4I,ARP/wARP,phenix的安装情况。如果一切正常,将会把软件安装到CCP4I中。安装最后,程序会有如下提示:)
INSTALL FINISH!
oasis_envfile: /work1/software/research/CRYST/ccp4-7.0/share/ccp4i/ipcas/oasis_env , please check this file before ipcas running
(如果oasis_env内容如下:
#CCP4_SETUP
source /work1/software/research/CRYST/ccp4-7.0/bin/ccp4.setup-csh
setenv oasisbin /work1/software/research/CRYST/ccp4-7.0/share/ccp4i/ipcas
setenv DYLD_LIBRARY_PATH /work1/software/research/CRYST/ccp4-7.0/lib
#ARP_SETUP
source /work1/software/research/CRYST/arp_warp_7.6/bin/bin-x86_64-Linux/../../arpwarp_setup.csh
#PHENIX_SETUP
source /work1/software/research/CRYST/phenix-1.12/phenix-1.12-2829/phenix_env.csh
setenv SOLVEDIR /work1/software/research/CRYST/phenix-1.12/phenix-1.12-2829/modules/solve_resolve/ext_ref_files
说明安装成功,否则,请检查log文件。)
如果选择S,半自动安装模式,那么程序将在用户的帮助下完成安装,一般首次安装推荐选择该模式。
S
Use Semi-automatical mode for further installation
#######################################################################
Using built-in specs.
COLLECT_GCC=gfortran
COLLECT_LTO_WRAPPER=/usr/lib/gcc/x86_64-linux-gnu/5/lto-wrapper
Target: x86_64-linux-gnu
Configured with: ../src/configure -v --with-pkgversion='Ubuntu 5.4.0-6ubuntu1~16.04.4' --with-bugurl=file:///usr/share/doc/gcc-5/README.Bugs --enable-languages=c,ada,c++,java,go,d,fortran,objc,obj-c++ --prefix=/usr --program-suffix=-5 --enable-shared --enable-linker-build-id --libexecdir=/usr/lib --without-included-gettext --enable-threads=posix --libdir=/usr/lib --enable-nls --with-sysroot=/ --enable-clocale=gnu --enable-libstdcxx-debug --enable-libstdcxx-time=yes --with-default-libstdcxx-abi=new --enable-gnu-unique-object --disable-vtable-verify --enable-libmpx --enable-plugin --with-system-zlib --disable-browser-plugin --enable-java-awt=gtk --enable-gtk-cairo --with-java-home=/usr/lib/jvm/java-1.5.0-gcj-5-amd64/jre --enable-java-home --with-jvm-root-dir=/usr/lib/jvm/java-1.5.0-gcj-5-amd64 --with-jvm-jar-dir=/usr/lib/jvm-exports/java-1.5.0-gcj-5-amd64 --with-arch-directory=amd64 --with-ecj-jar=/usr/share/java/eclipse-ecj.jar --enable-objc-gc --enable-multiarch --disable-werror --with-arch-32=i686 --with-abi=m64 --with-multilib-list=m32,m64,mx32 --enable-multilib --with-tune=generic --enable-checking=release --build=x86_64-linux-gnu --host=x86_64-linux-gnu --target=x86_64-linux-gnu
Thread model: posix
gcc version 5.4.0 20160609 (Ubuntu 5.4.0-6ubuntu1~16.04.4)
(检测编译器gcc是否已经安装)
#######################################################################
#######################################################################
CHECK CCP4 INSTALL START!
Found ccp4.setup-csh envfile: /work1/software/research/CRYST/ccp4-7.0/bin/ccp4.setup-csh
Use this setup file? (Y/N)
(检测ccp4的配置文件,如果认为检测到的准确无误,输入Y,否则输入N)。
N(输入N)
Please input the objective path of ccp4.setup-csh
e.g.:/softwares/ccp4-7.0/bin/ccp4.setup-csh
(要求用户手动输入ccp4的配置文件。)
/work1/software/research/CRYST/ccp4-7.0/bin/ccp4.setup-csh
CHECK CCP4 INSTALL FINISHED!(如果用户输入正确,该步骤完成。)
#######################################################################
#######################################################################
CHECK ARP INSTALL START!
Found arpwarp.source-csh envfile: /work1/software/research/CRYST/arp_warp_7.6/bin/bin-x86_64-Linux/../../arpwarp_setup.csh
Use this setup file? (Y/N)
(检测ARP/wARP的配置文件,如果认为检测到的准确无误,输入Y,否则输入N)。
#######################################################################
CHECK PHENIX INSTALL START!
Found phenix_env.csh: /work1/software/research/CRYST/phenix-1.12/phenix-1.12-2829/phenix_env.csh
Use this setup file? (Y/N)
(检测PHENIX的配置文件,如果认为检测到的准确无误,输入Y,否则输入N
如果都存在,那它将自动完成后续安装步骤。)