*** Shift outlier: 54 V CA Secondary Shift: -4.355 Limit: -3.445 *** Shift outlier: 52 F HA Secondary Shift: 1.164 Limit: 1.047 *** Shift outlier: 51 T HA Secondary Shift: 1.197 Limit: 1.047 *** Shift outlier: 35 N C Secondary Shift: 4.104 Limit: 3.727 *** Shift outlier: 29 A C Secondary Shift: 4.021 Limit: 3.727 *** Shift outlier: 27 E HA Secondary Shift: -1.698 Limit: -1.080 *** Shift outlier: 25 T CA Secondary Shift: 4.791 Limit: 4.660 *** Shift outlier: 19 K HA Secondary Shift: 1.070 Limit: 1.047 *** Shift outlier: 17 T HA Secondary Shift: 1.498 Limit: 1.047
*** Shift outlier: 15 E HA Secondary Shift: 1.313 Limit: 1.047 To test the CS-Rosetta, I directly go to examples/input, type: gb3.tab and I got: After installation, you should see something like “no errors found” and put the environmental setup in your csh or tcsh and source/update the shell. Ln -s AbinitioRelax.macosgccrelease AbinitioRelax.linuxgccrelease
#MAC OS ROSETTA INSTALL#
You should see error messages that the install script cannot find some Rosetta executable files and my solution is to make soft links at “rosetta_source/bin”ĭo this soft link before installing CS-rosetta. and the script will ask you to provide the full path of your rosetta-3.1 (not the path of rosetta_source). This is required for CS-Rosetta,too.įirst, download the all required compressed file at CS-Rosetta official site.
(I tried gfortran, a lot of errors occurred, but g77 does good job).Īfter getting g77 works, go to resetta_fragments/nnmake and type make to have pNNMAKE.gnu compiled.
#MAC OS ROSETTA FOR MAC OS#
I went to “ high performance computing for mac os X” to download g77-3.4 which is a binary file already. Second, you need g77 to compile the rosetta_fragments, but even using the unstable packages provided in fink, the x86_64 version of g77 for OS 10.6 is not available. NOTE: For Mac users, you can install scons by using Fink. The compilation takes approximately 1 hour. use “scons” to compile and install by command: “scons bin mode=release” –go to rosetta_source, uncompress the snow_leopard_ and the uncompressed files will automatically overwrite the files. (see this discussion topic at Rosetta forum : node 1705) Then download corrections for rosetta_source at here: –uncompress the bundle file, and keep uncompressing all “.tgz” files Machine: iMac 3.06 GHz, core i3, 4 GB Ram, OS 10.6.4įirst download Rosetta 3.1, all the bundle stuff. A note of my installation in the last 3 days.
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