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Constraints and final scoring of satisfied constraints in ab initio

Submitted by Azadeh on Tue, 2014-07-15 01:29
Category: 
Constraints

Hello,
I have a question regarding constraints and satisfied constraints scoring.
I'm using constraint files for ab initio modeling but I can't see any attributed constraint's score in the score.sc file. Is there a special command that I need to add to obtain constrain scores for calculated structures? Which one and where should it be added (the website recommendation is not clear to me)?

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Rosetta 3 - General

A question about Multiple constraints

Submitted by kxiao on Mon, 2014-06-16 07:02
Category: 
Constraints

Hi, all.
I've got a question about the Multiple Constraints, is there any differences between multiple-line constraints inside and outside a MultiConstraint block?
For example, if I want to apply two constraints, CST1 and CST2, what is the difference between the following two constraint files?

file1:
MultiConstraint
CST1
CST2
END

file2: (with out MultiConstraint block)
CST1
CST2

I am not sure if they are the same.

Anyone can help me? Thanks a lot in advance.

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Rosetta 3 - General

ambiguous constraints

Submitted by shrutikhare on Mon, 2014-05-12 04:42
Category: 
Constraints

I am using ambiguous constraint file which looks as follows:

AmbiguousConstraint
AtomPair CB 5 CB 16 BOUNDED 2.500 5.500 0.300 NOE
AtomPair CB 5 CG 16 BOUNDED 2.500 5.500 0.300 NOE
AtomPair CB 5 CD 16 BOUNDED 2.500 5.500 0.300 NOE
AtomPair CG 5 CB 16 BOUNDED 2.500 5.500 0.300 NOE
AtomPair CG 5 CG 16 BOUNDED 2.500 5.500 0.300 NOE
AtomPair CG 5 CD 16 BOUNDED 2.500 5.500 0.300 NOE
END_AMBIGUOUS

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Rosetta 3 - Applications

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