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lfcmike新虫 (初入文坛)
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ucsf dock6 在ubuntu12的安装过程 已有2人参与
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Download DOCK 6 from the official UCSF DOCK web-site and build source like this. ######################################################### ######################################################### # Compilation procedure for Dock 6.4 on Ubuntu Linux # # Date: 2013.03.03 # # Additional docs (where search for solutions): # http://dock.compbio.ucsf.edu/DOCK_6/faq.htm # http://mailman.docking.org/piper ... ptember/002247.html ######################################################### ######################################################### ######################################################### ################ install new packages ################### sudo apt-get install flex sudo apt-get install gfortran sudo apt-get install byacc ######################################################### ######################################################### ################## CONFIGURE SYSTEM ##################### ###### ###### set gfortran as g77 (no g77 on Ubuntu) ###### cd /usr/bin/ sudo ln -s gfortran g77 ###### ###### Set default YACC parser to byacc ###### sudo update-alternatives --config yacc ######################################################### ######################################################### ######################## BUILD ########################## ###### ###### Unpack: ###### tar -xvzf dock.6.4_source.tar.gz ###### ###### Compile: ###### cd dock6/install/ ./configure gnu make clean make ######################################################### ######################### DONE ########################## ######################################################### ############ software is in: bin direcotry ############## ######################################################### |
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2楼2013-03-04 22:26:33
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小木虫: 金币+0.5, 给个红包，谢谢回帖
小木虫: 金币+0.5, 给个红包，谢谢回帖
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请问，安装过程中最后一步，是干嘛的？没有看懂~写了optional，是不是可做可不做，那什么时候需要做最后一步呢？ 具体内容我附在下面了： (6) OPTIONAL: Alternate executables. (i) DOCK with parallel processing functionality requires a Message Passing Interface (MPI) library. Because of the vagaries of MPI libraries, building parallel DOCK has more pitfalls than installing the serial version. The MPI library must be installed and running on the system if the parallel features of DOCK are to be used. Currently, the DOCK installation mechanism only directly supports the MPICH2 and MPICH implementations. (But other MPI implementations can be accommodated probably with the only extra effort of editing the config.h file.) The MPICH2 library is freely available from Argonne National Labs ( http://www-unix.mcs.anl.gov/mpi/mpich/ ). Once MPI is installed, define the environment variable MPICH_HOME to the top level MPICH2 directory. MPICH_HOME will be referenced by all stages of the build procedure - from configuration through testing. See the Parallel DOCK section for execution information. WARNING: The parallel configuration files have been tailored to a typical MPICH2 build. Linking problems, such as undefined references and cannot find libbla_bla, can occur due to idiosyncrasies in the MPI installation. One corrective approach is to use manual linking; add to the LIBS definition in config.h the link flags (-L and -l) from the command: $MPICH_HOME/mpicc -show; in general, the LIBS should contain those link flags in the same order. (ii) DOCK with PB/SA scoring requires OpenEye Toolkits. In particular, DOCK uses the APIs as in OEChem TK 1.7.0 and Zap TK 2.1.1. These can be obtained from OpenEye (http://www.eyesopen.com/). Once they are installed, define the environment variable ZAP_HOME to the directory that contains the ZAP library. ZAP_HOME is used during installation and testing. For execution the environment variable OE_LICENSE must also be defined to the full path of the license file. 看半天不知道这是干嘛的？写了optional，是不是可做可不做，那什么时候需要做最后一步呢？ |
3楼2014-06-11 18:46:47
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