The problem hasn't been solved
I am using the latest 3.5 version. I am just wondering which modules support MPI now? could be relax protocol running by MPI?
thx
Hi,
I am trying to install the Pyrosetta, version- Scientific/Red Hat Linux (64-bit) on CentOS 6.0 but I am getting the following error when I use the command from rosetta import * :-
ImportError: libpython2.7.so.1.0: cannot open shared object file: No such file or directory
I have also installed python 2.7 , and it's installed at /usr/local/python2.7. I searched for the libpython2.7.so.1.0 file , but I was not able to locate it. In addition to python 2.7, I also have python 2.6 in the system.
Pls help
-------------
BHARAT
Do we need to relax the structure before doing the fix bb design? Thank you!
Dear ALL,
I have a protein complex structure. It has two chains, chain A and chain B.
I want to design chain A. In the same time, I wonder RosettaDesign can design chain A in a complex structure? I think design chain A only without chain B will miss the information from the complex structure. Can anyone tell me how to do fix backbone design for chain A in a complex structure? Thank you!
Catogery:
FlexPepDock Refinement;Score.
Hi all!
I am trying to dock a peptide to a receptor using FlexPepDock Refinement and generated 600 models,my top five models lie within sub-angstrom RMSDbb of the native structure.The lowest energy is -557.578.
Here is my flags:
-s pm6o.pdb
-native native.pdb
-pep_refine
-ex1
-ex2aro
-use_input_sc
-nstruct 600
Performing the command:
score.linuxgccrelease @flags > score.log
Hello:
I've compiled rosetta-3.5 with command:
scons bin mode=release extra=mpi
before compiling, I've set up the rosetta_source/tools/build/site.settings properly for my MPI environment as following:
import os
openmpiversion="1.4.5"
root="/home/albert/install/openmpi-1.4.5"+openmpiversion
root2="/home/albert/install/openmpi-1.4.5"+openmpiversion
root3="/usr/lib64/mpi/gcc"
settings = {
"gcc, mpi" : {
"overrides" : {
"cxx" : "mpicxx"
},
},
"site" : {
"prepends" : {
"program_path" : [
Hello:
I am trying to do protein/protein docking with rosetta. I already know that some residues involved in the binding, and I am just wondering how can I specify in the input file that some of the residues must be included for pose sampling?
thank you very much.
best
Albert
I have folder in workspace(domain_name) with subfiles (file_pdb) . I want to run script , where argument is a domain_name, and then the script makes some operations on subfiles. But I get error
Traceback (most recent call last):
File "", line 1, in
results_all_models('d1bgfa')
File "C:\Program Files (x86)\Python27x32\energy_model", line 58, in results_all_models
results = energy_model(ff)
File "C:\Program Files (x86)\Python27x32\energy_model", line 8, in energy_model
p=pose_from_pdb(s)
Hi everyone,
I'm trying to create a model using the ccd loop modeling and symmetrical modeling application. I am getting this error:
loopmodel.default.linuxgccdebug: src/numeric/xyzVector.hh:671: numeric::xyzVector< >& numeric::xyzVector< >::normalize() [with T = double]: Assertion `length_ != Value ( 0 )' failed.
