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Generating Fragment Libraries for Metal Binding Proteins

Hi All,

I would really like to generate a fragment library from a metal binding peptide primary sequence (as in the metalloprotein_abrelax demo). I would like to generate a fragment library from a sequence like:

>1dsvA.A
PPGLC[CYZ]PRC[CYZ]KKGYH[HIS_D]WKSEC[CYZ]KSKFDKDGNPLPPZ[ZN]

Possibly using chemical shift libraries as in Wang et al. (Prediction of structures of zinc-binding proteins through explicit modeling of metal coordination geometry, 2010, Protein Science).

Thanks! and all the best,

--Buz

Post Situation: 

Collecting 3.2 documentation holes

The purpose of this topic is to collect holes in the 3.2 documentation. If you post a question here (and you may), please also echo it as its own thread, and look for answers there. I will collect questions from other topics into this topic, but I won't be answering here. Once we get our next major documentation drive going, we'll try to get all the documentation flaws exposed here patched. Feel free to post any issues with the documentation you know about; the more specific the issue the more likely we can fix it. Thanks.

Post Situation: 

The Beta version of PyRosetta 2.0 is ready for download!

Hi Everyone!

The Beta version of PyRosetta 2.0 is ready for download, here is a brief summary of changes:

Approximately 4x more C++ namespace are bound.
All classes now have proper base classes.
Various usability improvements: better help, better error detection, etc.
Build system has been completely reworked. Supports parallel builds. Beta support for Clang++.
Build bases on Rosetta 3.2 release code (also available soon!).

Binaries for the following platforms are ready for download:
Mac OS X 10.6 (64Bit)
Scientific Linux (64Bit)

Post Situation: 

problems installing Rosetta on CentOS (fixed)

WhenI type:
[root@localhost rosetta_source]# python external/scons-local/scons.py
This happens:
scons: Reading SConscript files ...
sh: svnversion: command not found
sh: svn: command not found
scons: done reading SConscript files.
scons: Building targets ...
o build/src/debug/linux/2.6/64/x86/gcc/numeric/constants.os -c -std=c++98 -pipe
-ffor-scope -W -Wall -pedantic -Wno-long-long -O0 -g -ggdb -ffloat-store -fPIC -
Isrc -Iexternal/include -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isr

Post Situation: 

FAQ

Category: 
Compilation

1. How can I get a Rosetta software license?
2. What is RosettaDesign?
3. What is RosettaDock?
4. What is Ab inito folding?
5. What is the difference between Ab Initio and De Novo Modeling?
6. What is RosettaNMR?
7. What is RosettaLigand?
8. What are Fragment Libraries?
9. Which compiler should I use to build rosetta software?
10. How do I interpret the energies output by Rosetta?
11. How to cite ROSETTA in papers?
12. Where is Rosetta software documentation?
13. What's the minimum and recommended hardware settings for Rosetta software?

Post Situation: 

FAQ

Category: 
Compilation

1. How can I get a Rosetta software license?
2. What is RosettaDesign?
3. What is RosettaDock?
4. What is Ab inito folding?
5. What is the difference between Ab Initio and De Novo Modeling?
6. What is RosettaNMR?
7. What is RosettaLigand?
8. What are Fragment Libraries?
9. Which compiler should I use to build rosetta software?
10. How do I interpret the energies output by Rosetta?
11. How to cite ROSETTA in papers?
12. Where is Rosetta software documentation?
13. What's the minimum and recommended hardware settings for Rosetta software?

Post Situation: 

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