Membrane Abinitio modeling
Submitted by bharat_46010 on Mon, 2017-03-13 22:39
You are here
Unsolved
The problem hasn't been solved
Error while trying to run r_noe_assign
Submitted by sn on Mon, 2017-03-13 11:40
Category:
Compilation
Hi,
I am trying to run the initial_assignment using auto noe. When I run the command, I get the following error:
ERROR: ERROR: Option matching -chemical:patch_selectors not found in command line top-level context
How do I fix it?
Post Situation:
Forums:
Features Reporters missing documentation in rosetta_scripts -info
Submitted by David Weis on Mon, 2017-03-13 10:10
Category:
Docking
Running the command
rosetta_scripts.macosclangrelease -info InterfaceFeature
with randomly selected Features Reporters always returns an error. The info flag behaves correctly for other Rosetta Scripts tags for example passing MutateResidue.
Rosetta 3.8 on Mac OSX.
core.init: Rosetta version unknown:exported from http://www.rosettacommons.org
core.init: command: rosetta_scripts.macosclangrelease -info InterfaceFeature
Post Situation:
Forums:
Data Check for a newb
Submitted by ac.research on Sun, 2017-03-12 23:42
Rosetta ScriptsFeatures Reporter issue
Submitted by David Weis on Sun, 2017-03-12 08:19
Category:
Structure prediction
I am attempting to use the Fetures Reporter InterfaceFeatures on MacOS with Rosetta 3.8, but I get an error back. If I comment out InterfaceFeatures, the script runs fine. The PDB file is clean, just two proteins (attached). Do I have some misunderstanding about the nature of the InterfaceFeatures reporter?
My script is
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="t14" weights="talaris2014" />
</SCOREFXNS>
<RESIDUE_SELECTORS>
Post Situation:
Forums:
Remodel with residue constraints
Submitted by sn on Fri, 2017-03-10 01:40
Category:
Constraints
Hi,
I am trying to remodel a given structure where I want to replace a chain say B with same residues say alanines. How can I use remodel with constraints? To be more specific, how to write constraint files. I did look up the remodel documentation for the cst file. But, they describe atom level information. Is there a way to just do it at the residue level? (I mean, just give the residues I want to replace in the new structure?)
Post Situation:
Forums:
scoring with omega energy term
Submitted by SergeyP on Thu, 2017-03-09 12:03
cxx11 error with antibody modelling
Submitted by bogac on Wed, 2017-03-08 09:14
Category:
Structure prediction
Design
Dear all,
I built the last release 2017.08 recently. I have not encountered any error during the build. Here is the command I ran:
./scons.py -j8 mode=release bin extras=cxx11 extras=mpi
I have gcc version 5.4.0 so according to build tutorial this should new enough to have C++11 support.
But when I am running antibody.linuxrelease as according to the protocol on
Post Situation:
Forums:
Symmetrical Docking Example
Submitted by johnwo1990 on Wed, 2017-03-08 04:25
Category:
Symmetry
Dear experts,
I would like to ask if there is a symmetrical docking example script, such as D100_Docking.py in /demo folder of PyRosetta.
If not is there a good guide for symmetrical docking using PyRosetta?
Best regards,
Hovakim
Post Situation:
Forums:
Ensemble docking causes segmentation fault 11
Submitted by David Weis on Mon, 2017-03-06 14:30
Category:
Docking
Trying to locally dock two ensembles.
Docking runs fine with ensemble lists removed, but adding ensemble lists causes segmentation fault 11 on both mpi linux (Stampede) and MacOS.
At output level 400 on Mac, it looks like the crash comes during the first cycle of low-res docking:
Suggestions?
protocols.docking.DockingLowRes:
protocols.docking.DockingLowRes: ////////////////////////////////////////////////////////////////////////////////
Post Situation:
Forums: