Hi all, I wanted to use the rebuilding feature of Rosetta to help improve the R-fators of MR solution in a new space group. I'm using Phenix 1.7.1-743 w/ Rosetta 3.2 on MAC OSX 10.5.8 installation was succesful, so after editing my .profile to include export PHENIX_ROSETTA_PATH=/usr/local/bin/rosetta, I tried to run the following tests: 1. phenix_regression.wizards.test_command_line_rosetta_quick_tests test_set_up 2. phenix_regression.wizards.test_command_line_rosetta test_mr_rosetta 3. phenix_regression.wizards.test_command_line_rosetta_quick_tests While the first was successful (ALL COMMAND_LINE TEST OK), the second reported the following error: Error: test_command_line_rosetta failed Upon subsequently running the test_mr_rosetta.com script created in the subdirectory, the following error was reported: coords1.ali coords1.pdb fobs.mtz mr_rosetta_quick.eff perfect.mtz seq.dat test3.gz test9.gz test_mr_rosetta.com test_mr_rosetta.log Sorry: mr_rosetta failed... ******************************************************************************** Sorry, a subprocess has failed... END OF LOG FILE /usr/local/bin/rosetta/test_mr_rosetta/MR_ROSETTA_1/GROUP_OF_RESCORE_MR_1/RUN_FILE_1.log : SYMMETRY FROM INPUT SOLUTION: CRYST1 25.000 25.000 25.000 90.00 100.00 90.00 P 1 21 1 Scoring the model /usr/local/bin/rosetta/test_mr_rosetta/MR_ROSETTA_1/GROUP_OF_PLACE_MODEL_1/RUN_1/AutoMR_run_1_/coord_mr.1.pdb Relaxing model at 3.0 A, generating and scoring 1 relaxed models Error message: child process stderr output: command: 'sh /usr/local/bin/rosetta/test_mr_rosetta/MR_ROSETTA_1/GROUP_OF_RESCORE_MR_1/RUN_1/RESCORE_MR_1/WORK_1/run_relax.sh' /usr/local/bin/rosetta/test_mr_rosetta/MR_ROSETTA_1/GROUP_OF_RESCORE_MR_1/RUN_1/RESCORE_MR_1/WORK_1/run_relax.sh: line 3: 11915 Trace/BPT trap /usr/local/bin/rosetta/rosetta_source/bin/mr_protocols.default.macosgccrelease @relax.flags > relax.log 2>&1 Failed to run RELAX ******************* ERROR ENDING *************** Failed to run RELAX ...see log file in /usr/local/bin/rosetta/test_mr_rosetta/MR_ROSETTA_1/GROUP_OF_RESCORE_MR_1/RUN_1/RESCORE_MR_1/WORK_1/relax.log ******************* ERROR ENDING *************** The resulting log file showed the following: dyld: Library not loaded: /Applications/rosetta3.2_bundles/rosetta_source/build/src/release/macos/10.5/64/x86/gcc/libdevel.dylib Referenced from: /usr/local/bin/rosetta/rosetta_source/bin/mr_protocols.default.macosgccrelease Reason: image not found phenix_regression.wizards.test_command_line_rosetta_quick_tests failed with the following: Running test_autobuild FALED TO RUN: test_autobuild ************************************************************** Error: test_command_line_rosetta_quick_test failed After running the resulting test_autobuild.com script, the log file showed: S_COORD_0001_ed_0005_ed.pdb averaged_map_coeffs.mtz coords1.pdb fobs.mtz relax.pkl seq.dat test_autobuild.com test_autobuild.log Sorry: Failed to run autobuild ERROR MESSAGE: Sorry the file /net/sigma/raid1/scratch1/terwill/misc/mr_rosetta/coords1_data.mtz seems not to exist? ( key = input_data_file) The last error message was particularly confusing as that directory indeed does not exist on my machine, put was rather the directory path given as an example in the documentation. I have two hunches for what could be going wrong, but I unsure how to fix either: 1. In the phenix documentation it says if using a mac, I might have to download some patches, but I could not find any on the Rosetta dowload page ;(. 2. The documentation also stipulates to specify a proxy server if behind a firewall using export HTTP_PROXY=proxyout.mydomain.edu:8080 I am behind a firewall, but on my machine there is no proxy server listed under system prefernces-->advanced-->proxies. I can access my machine using a vpn, but don't know how to tell rosetta to do the same. Thanks for all your help in advance and sorry that this is so long winded ;) Cheers, Joe