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Protein and nucleic acid validation service
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Updated May 20 2015 Installing MolProbity: 32 BIT linux may not be supported. Welcome to MolProbity!! Installation Installation is fairly straightforward. First move the MolProbity directory (the directory that this README file is in) to a location where you want it to reside. Note that Apache will have to see MolProbity/public_html if you are interested in setting up a web service. Once the MolProbity directory is in the proper location, you are redy to install. Open a terminal and go to the MolProbity directory. Linux users: ensure that gawk is on a path that the server can read (gawk may need to be installed). Linux users: python-dev is a dependency of one of MolProbity's cctbx dependencies, and may need to be installed. The build script will warn you about this if it fails for this reason. 0. Acquiring MolProbity Currently the only way to get MolProbity is from GitHub. For users, we suggest: git clone https://github.com/rlabduke/MolProbity.git --branch molprobity_4.3.1 --single-branch --depth 1 This will check out just the most recent release of the code. If you did a whole-repository checkout instead, let us suggest you swap to a stable release branch (currently molprobity_4.2) over the master development branch. Just "git checkout molprobity_4.2" from the directory containing this readme. 1. Run configure.sh. If your machine has less than 2 GB memory per processor, you may wish to edit configure.sh by commenting out "make" and commenting in the nearby line "./bin/libtbx.scons -j 1". This causes the underlying cctbx code to compile on only one processor instead of all processors - it's slower (an hour?) but less likely to bog down your computer. >>> ./configure.sh This will install cctbx_project and needed components in MolProbity/sources: build list: annlib annlib_adaptbx boost cbflib ccp4io ccp4io_adaptbx cctbx_project chem_data lapack_fem probe reduce scons tntbx and then will compile and configure in MolProbity/build. 2. Run setup.sh to configure the webserver. >>> ./setup.sh If setting up a webserver, make sure that the machine's Apache configuration can point to the MolProbity/public_html directory. Note that it is not necessary to setup a webserver if you are only interested in running the command-line tools. Note that it is not necessary to set up an externally-accessible webserver like Apache to get MolProbity served as a website available only on your computer (via localhost). You will need to install php-cli or a similar package, then run "php -S localhost:8000" in the MolProbity main directory. This sets up a non-public webserver. In a browser, navigate to http://localhost:8000/public_html/index.php , and you will have a functioning local MolProbity site. 3. Tweak Apache settings as needed We have provided two files in public_html/, .user.ini and .htaccess, which attempt to preclude the need for users to do system-wide server reconfigurations. In particular, .htaccess should override the global php.ini for an Apache MolProbity server, and .user.ini should do the same for a local PHP-CLI server. If that doesn't work, you may need to edit Apache settings for proper MolProbity performance. The settings file is often called php.ini, e.g. /etc/php5/???/php.ini, but it will vary on different computers. Two such defaults are: upload_max_filesize = 2M post_max_size = 8M Something like 50M (for both) may be more appropriate. An external explanation: http://stackoverflow.com/questions/24377403/maximum-upload-size-in-php-and-apache http://stackoverflow.com/questions/2184513/php-change-the-maximum-upload-file-size
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