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Ligand dock analysis

Hi all,

I am running ligandDocking application thru rosetta_scripts app. On the documentation "Rosetta Ligand Docking with Flexible XML Protocols", there is a paragraph addressing how to analyse the result.
The example can be downloaded from "http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0020161" in the supplement info.
I did exactly what it says on the example folder provided in the documentation but there is error relating to the residue type:

ERROR: Attempting to add a residue type with name 'CP1' but this name is already taken.

Post Situation: 

possible error in make_fragments.pl and fix

Dear fellows,

thank you for the newly rewritten version of make_fragments.pl in Rosetta 3.4 ... it came just in time when I was struggling with the old one! In my hands/case though, there was a problem with the inclusion of secondary structure prediction from pre-calculated files. (It worked well when files were calculated on the fly with psipred / SAM installed.)

I'll try to be exact with my description of the errors in the current version:

Post Situation: 

possible error in make_fragments.pl and fix

Dear fellows,

thank you for the newly rewritten version of make_fragments.pl in Rosetta 3.4 ... it came just in time when I was struggling with the old one! In my hands/case though, there was a problem with the inclusion of secondary structure prediction from pre-calculated files. (It worked well when files were calculated on the fly with psipred / SAM installed.)

I'll try to be exact with my description of the errors in the current version:

Post Situation: 

possible error in make_fragments.pl and fix

Dear fellows,

thank you for the newly rewritten version of make_fragments.pl in Rosetta 3.4 ... it came just in time when I was struggling with the old one! In my hands/case though, there was a problem with the inclusion of secondary structure prediction from pre-calculated files. (It worked well when files were calculated on the fly with psipred / SAM installed.)

I'll try to be exact with my description of the errors in the current version:

Post Situation: 

possible error in make_fragments.pl and fix

Dear fellows,

thank you for the newly rewritten version of make_fragments.pl in Rosetta 3.4 ... it came just in time when I was struggling with the old one! In my hands/case though, there was a problem with the inclusion of secondary structure prediction from pre-calculated files. (It worked well when files were calculated on the fly with psipred / SAM installed.)

I'll try to be exact with my description of the errors in the current version:

Post Situation: 

Rosetta 3.4 build on Fedora 15 (VM)

Dear All,

Because I cannot build Rosetta 3.4 on Mac OS X Lion yet, I tried a virtual machine of Fedora 15 with VirtualBox. Here I describe some issues:

1. After installing Fedora I made the following updates / installations:
$ sudo yum install scons
$ sudo yum update gcc-c++

2. I run the following command in the source code folder of Rosetta:

$ scons bin mode=release

3. When compiling, the process stopped because of the following errors:

$ g++-4.6: command not found
$ gcc-4.6: command not found

4. So I checked the version of the compiler:

$ gcc -v

Post Situation: 

Symmetric Docking (Making Trimer from Monomerics Units)

Earlier Rosetta++ versions had the options -n_monomers where you could pass any number for the number of monomeric units to be docked together like 2 for dimer and 3 for trimer.

It is not present in Rosetta3.4

Can anybody suggest something related ?

Thanks!

Post Situation: 

We no longer officially support cygwin

Cygwin support has been troublesome for the Rosetta community. Nobody in the community uses Windows or cygwin for development work, and generally we don't even have a cygwin build available for testing. We have de facto not supported cygwin for a while, in the sense that most cygwin problems stumped us. Until this situation changes we are no longer supporting cygwin. Feel free to post your questions on this board anyway; perhaps other cygwin users will be able to help.

Post Situation: 

Moving Rosetta to C++11 standard

Category: 
Compilation

We're discussing moving Rosetta to the C++11 standard. Here's a list of compatible compilers:http://wiki.apache.org/stdcxx/C++0xCompilerSupport. Briefly, if you're using GCC 4.6+ or clang 3.0+ (I don't know about gcc) it's fine. Let me know if you're okay with a move to C++11.

Post Situation: 

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