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Phenix: Difference between revisions
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→Installation from source, and of Rosetta interface
(→Using a reference model: upate syntax) |
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[http://www.phenix-online.org/documentation/reference/rosetta_refine.html phenix.rosetta_refine] (and [http://www.phenix-online.org/documentation/reference/mr_rosetta.html phenix.mr_rosetta]) requires a working Rosetta installation. The easiest way is to download one of the weekly binary+source Rosetta bundles (to be found following this [https://www.rosettacommons.org/software/license-and-download link]). The tar-file only has to be unpacked; binaries and libraries are pre-compiled. Your .bashrc has to be modified to have e.g. | [http://www.phenix-online.org/documentation/reference/rosetta_refine.html phenix.rosetta_refine] (and [http://www.phenix-online.org/documentation/reference/mr_rosetta.html phenix.mr_rosetta]) requires a working Rosetta installation. The easiest way is to download one of the weekly binary+source Rosetta bundles (to be found following this [https://www.rosettacommons.org/software/license-and-download link]). The tar-file only has to be unpacked; binaries and libraries are pre-compiled. Your .bashrc has to be modified to have e.g. | ||
export PHENIX_ROSETTA_PATH=/usr/local/src/ | export PHENIX_ROSETTA_PATH=/usr/local/src/rosetta_src_2017.08.59291_bundle | ||
(or similarly for .cshrc) and | (or similarly for .cshrc) and | ||
rosetta.build_phenix_interface | rosetta.build_phenix_interface | ||
needs to be run. | needs to be run; the latter step takes hours. | ||
If this fails (for example, compiler error messages), then one must re-compile Phenix and/or Rosetta. Try to re-compile only Phenix first (and after that, try rosetta.build_phenix_interface again); Rosetta re-compilation may take hours. There are several issues associated with re-compilation: | If this fails (for example, compiler error messages), then one must re-compile Phenix and/or Rosetta. Try to re-compile only Phenix first (and after that, try rosetta.build_phenix_interface again); Rosetta re-compilation may take hours. There are several issues associated with re-compilation: | ||
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* to re-compile Rosetta: go to the main/source directory and issue: | * to re-compile Rosetta: go to the main/source directory and issue: | ||
./scons.py -j8 mode=release bin | ./scons.py -j8 mode=release bin | ||
(The -j8 should be used if your machine has 8 or more cores.) | (The -j8 should be used if your machine has 8 or more cores.) | ||
== See also == | == See also == | ||