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Compilation

Compiling Rosetta using Scons.py

Category: 
Compilation

Hello,

I downloaded Rosetta 3.12 linux + binaries and I noticed the the bin folder contained all 0 kb linuxgccrelease files. I have tried to compile Rosetta using the provided SCons version that was provided with Rosetta 3.12 linux + binaries download. I followed the "Compiling Rosetta" instructions from the user guide and executed the command 

$ python3 ./scons.py -j 4 mode=release bin

Post Situation: 

Wheel Installation error

Category: 
Compilation

Hello all,
I'm trying to implement the wheel-based installation for rosetta, and was getting the following error. I'm currently running the Ubuntu environment on Windows 10. 

pip install pyrosetta-2020.25+release.d2d9f90b8cb-cp35-cp35m-linux_x86_64.whl

Defaulting to user installation because normal site-packages is not writeable
ERROR: pyrosetta-2020.25+release.d2d9f90b8cb-cp35-cp35m-linux_x86_64.whl is not a supported wheel on this platform.

Any hints?

Best,
Brandon

Post Situation: 

Cannot compile Rosetta with "extras=hdf5" flag

Category: 
Compilation

Hello. I'm having trouble compiling Rosetta on an AWS Ubuntu 22.04 instance, using scons with the extras=hdf5 flag. The problem seems to be with finding the HDF5 libraries.

My question - how can I successfully compile Rosetta with the extras=hdf5 flag?

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Simplest rosetta compilation

Category: 
Compilation

I used to compile rosetta with mode=release ~5 yrs ago with no problem.

But now I can't..

With

rosetta_bin_linux_2021.16.61629_bundle

Red Hat Enterprise Linux Workstation release 6.6 (Santiago)
Release:    6.6

I tried

scons.py -j4 bin mode=release

Then, I see

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rosetta.build_phenix_interface on fedora 36

Category: 
Compilation

This is for those who are interested in building rosetta_phenix_interface on fedora 36 or in general using gcc 12.1.1 20220507.

I had no problem compiling the phenix interface using rosetta.source.release-314 on fedora 36 after two little tweaks:

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minimize_ppi.mpi.linuxgccrelease doesn't use jd2?

Category: 
Compilation

mpiexec -np 8 $ROSETTA_BIN/minimize_ppi.mpi.linuxgccrelease -database $ROSETTA_DATABASE -l pdb.lst

runs each structure in the list 8 times instead of running one structure per processor, thus 8 structures simultaneously. But minimize.mpi.linuxgccrelease distributes the jobs via jd2 and runs 8 structures on 8 processors simultaneously. Any thoughts? Thanks!

Post Situation: 

Mac build: cannot find main directory

Category: 
Compilation

I am new to Rosetta.  I downloaded to my Mac and tried to build, following https://new.rosettacommons.org/docs/latest/getting_started/Getting-Started#introductory-rosetta-tutorials_installation-on-mac-linux.  This says that there should be a directory main/source, however I don't have it:

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Correctly Formatting a PDB file for analysis of a Zinc Finger Motif

Category: 
Compilation

I have been trying to correctly format a zinc finger motif for docking in RosettaDock-3.2, but have apparently failed after many efforts.  I have attached the PDB file.  The zinc is located within Chain A and coordinated by residues within Chain A.

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