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NMR / NOE related tools in 3.2 ?

Is there an increase in NMR functionality in 3.2? Although I saw nothing in the 3.2 documentation to suggest this, the 3.2 version of "relax -help" and "score_jd2 -help" now suggests a wide array of NMR-related options (see attachment with partial output from "relax -help". So, are there really new NMR-related tools in 3.2? Are those documented somewhere?


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installation of rosetta 3.2 on windows 7 home edition using cygwin 6.1 (intel i5 )

Hi I tried installing rosetta 3.2 on windows using cygwin and I have installed zlib while installing cygwin but I am getting the following error :-

End of stack trace
12353592 [main] python 5504 fork: child 3364 - died waiting for dll loading, err
no 11
scons: *** [build/src/release/cygwin/1.7/32/x86/gcc/utility.dll] Resource tempor
arily unavailable
scons: building terminated because of errors.

What could have gone wrong ??

I again tried using the same command and I got the following error :

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Peptide design


I would like to perform sequence design of the peptide bound to the protein. I am using PyRosetta and PackRotamersMover function. I would like to ask if it is possible to use BINDING ENERGY of peptide instead of TOTAL ENERGY of complex as a criterion for accepting/rejecting given mutation during Monte Carlo simulation?


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Re : installation of rosetta 3.0 on fedora core 6


I am new to rosetta .. I have downloaded and installed rosetta 3.0 on fedora core 6 platform .. I gave the commnand scons bin mode=release, being in the rosetta3_source directory.. as it was complied wihtout any errors.. but i don't know how to use it for any procedure .. after checking the manual .. I followed some steps and being in the loopmodeling directory rosetta3_demos I gave the following command :-

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I'm a total beginner to Rosetta 3.2 and there are no tutorials for me to follow. Can someone help.? =)

Hi, I'm currently an undergraduate research student in Singapore. My prof has just tasked me to try out Rosetta for docking. However, he is also new to the program, and so we are sort of stuck on how to start even a basic docking. We are using SUSE Linux. We hope that someone would be kind enough to get us started on a very basic tutorial on docking like the commands used, before we proceed on to explore the features further.

Thanks. =)

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Excessive disk use in Rosetta download and build processes

The software I build and install gets pushed to standalone installations on about 100 different machines, and the installation usually lives on higher-cost storage (i.e. RAID or a SAN, etc), and then all those installations are backed up somewhere or other, so I usually take the time to weed out as many unnecessary files as possible. It makes everyone's life a little better.

Looking at the Rosetta packaging, there are a number of opportunities for improvements. The first one is very easy. Here's an expanded rosetta3.2_bundles.tgz:

$ du -k --max-depth=1 | sort -n
48 ./.svn

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Error during installation of rosetta2.3 in Blue gene


I am trying to install rosetta2.3 in IBM Blue gene
Compiler: xlc++
Mpi : mpixlC

The error got during compilation:
mpixlC -c -I. -Isrc -Iexternal/include -Isrc/platform/linux/ -O3 -qhot=nosimd -DNDEBUG -DUSEMPI -qarch=440 -qtune=440 -qmaxmem=-1 -qlanglvl=c99__func__ -MT.xlc++_ppc.map_sequence.d -MF.xlc++_ppc.map_sequence.d -o .xlc++_ppc.map_sequence.o
"src/ObjexxFCL/FArray1DB.hh", line 477.29: 1540-0274 (S) The name lookup for "equal_dimensions" did not find a declaration.

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Build Error, ubuntu 10.10, scons 2.0, python 2.6.6 and gcc 4.4.5, truncation

I'm using ubuntu 10.10, scons 2.0, python 2.6.6 and gcc 4.4.5
I built a release version of Rosetta, here are the last few lines of the building process
sh: o: not found
Install file: "build/src/release/linux/2.6/32/x86/gcc/rna_extract.linuxgccrelease" as "bin/rna_extract.linuxgccrelease"

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