You can follow instructions to download and install PyRosetta here and here. PyRosetta is an interactive Python-based interface to Rosetta, allowing users to create custom molecular modeling algorithms with Rosetta sampling and scoring functions using Python scripting. You can find the instructions on how to use Xcode to build Rosetta here. You can use it to build, run, debug, browse, and edit the source code. If you are interested in working with Rosetta code, you can build Rosetta using the Rosetta Xcode project. scons.py -j 10 mode=release bin cxx=clang cxx_ver=4.5 Building Rosetta using the Rosetta Xcode project (Mac) For example the command below builds Rosetta completely in release mode using clang compiler version 4.5 using 10 cores: However you can specify what compiler and version you wish to use by using " cxx". by default scons builds Rosetta using the GCC compiler.For example if you use extras=mpi, you use rosetta_ instead of rosetta_ NOTE when you build with different extras, the extension will change. scons.py -j 5 mode=release bin/rosetta_ extras=mpi Running Rosetta in MPI mode requires (potentially non-trivial) edits to the ttings files.įor example the code below compiles only the rosetta_scripts application in MPI format and release mode using 5 cores: >. "extras=mpi" compiles Rosetta in MPI Massage Passing Interface format (for those executables that support MPI runs)."extras=opencl": enables GPU usage for those apps that support it."extras=graphics": mode enables OpenGL graphics for those apps that support it.This can be useful for copying and running the apps on other systems. "extras=static": builds static binaries."bin/rosetta_" or "rosetta_scripts": only compiles the mentioned application (multiple can be listed)."bin": complete compilation of all applications in the bin/ directory.empty: if you don't provide any location, by default only the libraries will be built.It is mostly used for development and debugging purposes.
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