You are here

Unsolved

The problem hasn't been solved

build rosetta3 with gpu support failed

Category: 
Compilation

I tried to install rosetta3 with gpu support with the follow command: 

 sudo ./scons.py -j 20 mode=release bin extras=opencl

but failed with the follow error message:

scons: *** [build/src/release/linux/3.10/64/x86/gcc/4.8/opencl/protocols/hotspot_hashing/SurfaceSearchPattern.os] Error 1
scons: building terminated because of errors.

My system is centos7 implemented with 2 c2050 gpu, and cuda-8.0 has been installed in the system. Why does the error occurs? Is there some way to solve this problem?

Post Situation: 

Packstat application output

Category: 
Scoring

Hello!

I am trying to use the packstat application for measuring the quality of my model. But, I'm not sure what the terms in output mean? (there is no info in user guide/documentation). I came up with the flags I've used from the RosettaHoles2 paper. As per the paper, it should output some pdb and also output explicit representation of voids. But, I donot see any output files. I only get the commandline output with three score columns.

Could someone clarify?

Post Situation: 

Error when running enzyme_design tutorial

Category: 
Enzyme Design

I'm trying to run the enzyme_design tutorial from here:

 

https://www.rosettacommons.org/demos/latest/public/enzyme_design/README

The first 2 stages run fine, but when I run the Design step with the command:

$ROSETTA3/bin/enzyme_design.static.linuxgccrelease @rosetta_inputs/general_design.flags -s rosetta_inputs/UM_1_D41H116K189_1tml_11_mocktim_1.pdb -out:file:o scorefile.txt

The code crashed with the following error:

Post Situation: 

build error in linux-centos

Category: 
Compilation

Hello everyone!

 I recently upgraded to CentOS7. So, I had to do a fresh installation of Rosetta. I am trying to build the latest version of rosetta with this command:-

$ sudo ./scons.py -j10 bin mode=release extras=static

The building terminates with an error like this:-

I think the same type of error is popping up while trying to compile different applications. Could someone help me with this?

Post Situation: 

Some problems with the "advanced protein-protein docking" tutorial

Category: 
Docking

I am studying the Rosetta "advanced protein-protein docking" tutorial (https://www.rosettacommons.org/demos/latest/tutorials/advanced_protein-protein_docking/advanced_protein-protein_docking_tutorial), but I find some confusing problems with it. 

Problem 1

The input file pdb file for the docking  command: 

Post Situation: 

Converting -patch replonly residues to original sequence

Category: 
Structure prediction

Hi There,

I am trying to model a protein with disordered regions and found a paper that mentioned using -replonly_residues will be helpful in such case. I have run the simulation and when I checked the output structures , all of the replonly residues are mapped as 'GLY'. Is there a way to re-map them to the original sequence in the PDB coordinate file?

Thanks,

Subha

 

Post Situation: 

Problems with "pdb_renumber.py" in tutorial Advanced Protein-Protein Docking

Category: 
Docking

Dear all,

I am learning the advanced "protein-protein docking" part of the Rosetta about the docking of HA and antibody. When I input the following command in this tutorial: 

$ROSETTA_TOOLS/protein_tools/scripts/pdb_renumber.py --norestart input_files/3GBM_AB.pdb input_files/3gbm_HA.pdb

I get the following error message:

Post Situation: 

Repeat study

Category: 
Structure prediction

Hi everyone,

I would like to repeat and extend this study with PyRosetta, yet I am new to it. I have the PyRosetta tutorial book here in front of me and working through it.

How should I go about creating the fragment database? Manually select the fragments and go from there?

How can I re-create similar structures and expand from there? 

Some general pointers would be great. 

Thanks,

Thomas

 

Post Situation: 

Pages