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partial success with unit test

I was installing rosetta 3 on Ubuntu 10.04 LTS with GCC 4.3,the compilation using 'scons bin mode=release 'went smoothly,and the 'scons cat=test' also went well,however,running 'test/run.py' ended up with a success rate of only 41% .Acutally I will be doing a little bit of development work with rosetta,so I decide it's better to find out what's keeping me from getting a success rate of 100%.Anybody got an idea?

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Help with enzyme design

Hey, I was testing the enzyme design application with the files (1a91_CHGW_d1_mod.pdb, D2N_aX.params, D2N_ax_confs.pdb, Est_CHba_d2n.cst and flags) provided in one of the test folders.

Here is my command line:
/usr/local/rosetta3.2/rosetta_source/bin/enzyme_design.linuxgccrelease -database /usr/local/rosetta3.2/rosetta_database/ -overwrite @flags > enzyme_design.log

The run stopped a few seconds after it started. Here is the short log file:

core.init: Mini-Rosetta version exported from unknown

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placing a constraint during structure prediction

Friends,
I have installed rosetta 3.2.1. I want to predict the structure of a loop. The two terminal residues of the loop are cysteins. So i would like to tell the AbinitioRelax.linuxgccrelease script to consider the disulfide bond between the residues during structure prediction. Is there any option that i use with the AbinitionRelax script do achieve this ?

Thanks

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cutpoint error!

Hi, I'm trying to use docking_protocol.linuxgccrelease on a pdb structure where it is made up of 2 chains, one is the actual protein, while the other is a peptide of small length.

When I ran that module, I got the error:

ERROR: cutpoint
ERROR:: Exit from: src/protocols/docking/util.cc line: 91

What is this cutpoint error about and how can I go about solving it.? Please advise. Thanks. =)

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CentOS-5 x86_64 python 2.6.6 (self compiled --enable-unicode=ucs4 --enable-shared --enable-threads) issue with 1.1/2.0

I installed both:
PyRosetta-Release1.1-r34968.linux.64Bit.tar.bz2
PyRosetta.ScientificLinux-r40608.linux.64Bit.tar.bz2

PyRosetta-Release1.1-r34968:

[tru@mestizo ~]$ iPyRosetta
/c5/shared/pyrosetta/PyRosetta-Release1.1-r34968.linux.64Bit/IPython/Magic.py:38: DeprecationWarning: the sets module is deprecated
from sets import Set
Python 2.6.6 (r266:84292, Apr 6 2011, 19:50:10)
Type "copyright", "credits" or "license" for more information.

IPython 0.9.1 -- An enhanced Interactive Python.
? -> Introduction and overview of IPython's features.

Post Situation: 

Rosetta 3.2.1 CentOS-5 x86_64 gcc: "scons cat=test mode=release" failure

python 2.4
scons 2.0.1
gcc 4.1.2 (CentOS-5 version)


[tru@liberte rosetta_source]$ scons -j8 bin mode=release
...

finished fine ...

but testing fails:

[tru@liberte rosetta_source]$ scons -j8 cat=test mode=release
scons: Reading SConscript files ...
svn: '.' is not a working copy

scons: warning: The build_dir keyword has been deprecated; use the variant_dir keyword instead.
File "/c5/shared/rosetta/3.2.1/rosetta_source/SConscript", line 40, in ?

scons: warning: The build_dir keyword has been deprecated; use the variant_dir keyword instead.

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How to set up options in rosetta

Good morning,

I'm quite new to Rosetta software and I'm developing an application that uses Rosetta features. My application works fine but I'm quite annoyed with the output of Rosetta. Is there a way to set verbosity level in the shell to 0? I guess this feature exists but I've been unable to make it work so far. I tried

core::options::option.add_relevant(core::options::OptionKeys::run::silent);

but this doesn't seem to have effect.

Can anyone point me to the right direction?

Thanks a lot
Alejandro

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How to set up Rosetta 3 in Mac OS

Hi,

I am brand new for Rosetta. I am planing to do homology modeling, protein-protein docking, and small molecule docking with Rosetta. I bought a MacBook Pro for these purposes, after consulting a few people in this field. I downloaded the most recent version of Rosetta, but I don't know how to have Rosetta to run in my Mac. Your help will be greatly appreicated.

Zhanjun

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