[[https://csrosetta.chemistry.ucsc.edu | CS rosetta Home]] ====== Tutorial ====== *[[https://csrosetta.chemistry.ucsc.edu/node/1242 |tutorials]] ====== Installation ===== * Get the academic license for Rosetta at https://els.comotion.uw.edu/express_license_technologies/rosetta * Immediately, you will get the download link from Rosetta Commons by email. * Download and compile Rosetta. *[[https://www.rosettacommons.org/docs/latest/Home |Download]] *[[https://www.rosettacommons.org/demos/latest/tutorials/install_build/install_build |cs-Rosetta install toturial]] *Unpacktar -xzf *.tgz *Install openmpisudo apt-get install openmpi libopenmpi-dev **Error!** If you get an error like /usr/bin/ld: cannot find -lz SCons may be looking for 32 bit libraries on a 64 bit machine. Look up how to install the missing dependency; in this casesudo apt-get install lib32z1-dev *Compilecd rosetta_src_2017.08.59291_bundle/main/source ls binIf not compiled, bin dir should be empty$nohup ./scons.py -j 4 mode=release bin extras=mpi &Building Rosetta,it might take hours **Tips!** you might come across many mistakes, if you don't know how to handle ,the page following may helps [[https://www.rosettacommons.org/docs/latest/build_documentation/Build-Documentation|Help Documentation]] *Download and compile [[https://csrosetta.chemistry.ucsc.edu/downloads/toolbox| CS-Rosetta Toolbox]] *Download *Unpacktar -xvzf csrosetta_toolbox_ver3.3.tgz *Installation The installation script is in the top-level toolbox directory and has to be run at least once for each installation.The installation script will perform several tasks: >>generate init script: csrosetta3/com/init >>integrate ROSETTA >>integrate existing TALOS+ or download from http://spin.niddk.nih.gov/NMRPipe >>download chemical shift VALL from www.csrosetta.org >>download BLAST executable from ftp.ncbi.nlm.nih.gov/blast/ >>download genome/nr database from ftp.ncbi.nlm.nih.gov/blast/ The script is able to resume broken downloads and can also be rerun at a later time to check for any updates. cd csrosetta3 nohup python install.py & **Error!**:cannot find rosetta binaries and rosetta database We can specify the rosetta and rosetta databse with ./install.py -rosetta ***/rosetta/main/source/bin/ -rosetta_database ***/rosetta/main/database/ *Update profile#add the following into ~/.cshrc or ~/.bashrc #loading CS-Rosetta toolbox source $HOME/csrosetta3/com/init *Testpick_fragments -cs tutorials/inputs/SgR145.tab "**Error!**: Can't identify secondary structure file type (needs vertical psipred_ss2 or talos+ pred.ss):[target_name].fasta.talos/predSS.tab" proceed as follows: 1) Open the predSS.tab file that has been created in the folder [target_name].fasta.talos/predSS.tab 2) Insert a line at the very top that says "REMARK TALOS-N" 3) Resubmit your pick_fragments command on the command line. The fragment picker will pick up where it left off.