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clean_pdb_keep_ligand.py IndexError

Submitted by to-qinbin@163.com on Sat, 2022-09-10 04:04
Category: 
Compilation

(base) ubun@ubun-System-Product-Name:~/relax/test$ python $ROSETTA/main/source/src/apps/public/relax_w_allatom_cst/clean_pdb_keep_ligand.py 01-MD-086DS.pdb -ignorechain
Traceback (most recent call last):
  File "/home/ubun/rosetta/main/source/src/apps/public/relax_w_allatom_cst/clean_pdb_keep_ligand.py", line 135, in <module>
    if (chainid == line[21] or ignorechain):
IndexError: string index out of range
 

The 01-MD-086DS.pdb file contains a substrate and a cofactor.

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Rosetta 3 - General

machine designation 'ppc64le' is unsupported

Submitted by tarsis on Tue, 2022-08-23 06:22
Category: 
Compilation

Hi,

I'm trying to compile rosetta 2021.16.61629 at cineca but it seems that ppc64le is unsupported. Any help on what to do to fix this would be much appreciated. Please see below:

scons bin mode=release extras=mpi extras=hdf5 

Traceback (most recent call last):

 File "/m100_work/icei_Marfor2_0/UBQ/rosetta_bin_linux_2021.16.61629_bundle/main/source/SConstruct", line 183, in main

    build = SConscript("tools/build/setup.py")

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Rosetta 3 - Build/Install

Compiling Rosetta using Scons.py

Submitted by jgustat on Fri, 2022-07-01 09:24
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

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Rosetta 3 - Build/Install

Wheel Installation error

Submitted by banson on Mon, 2022-06-20 15:32
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

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Rosetta 3 - Build/Install

Cannot compile Rosetta with "extras=hdf5" flag

Submitted by jhl on Wed, 2022-06-15 15:40
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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Rosetta 3 - Build/Install

Simplest rosetta compilation

Submitted by dnamkr on Sat, 2022-05-28 11:41
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 3 - Build/Install

rosetta.build_phenix_interface on fedora 36

Submitted by vcalderone on Wed, 2022-05-25 02:11
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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Rosetta 3 - Build/Install

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