CNS Yahoo group NMR NCS restraints

		BioNMR > NMR community > News from other NMR forums
[CNS Yahoo group] NMR NCS restraints

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

03-07-2012, 07:05 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,734

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

NMR NCS restraints

NMR NCS restraints

I am running CNS 1.2 calculations of NMR structure of symmetric DNA duplex (like (CGAAATTTCG)2 ) and would like to use NCS restraints included in the

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[Question from NMRWiki Q&A forum] Generate inter-proton distance restraints from an X-ray structure Generate inter-proton distance restraints from an X-ray structure Hello, Does anyone know of any program that can generate inter-proton distance restraints from an X-ray structure?I was able to use Molmol to generate dihedral angles. MolMol can also generate inter-atom distances, however, I could not figure out how to just generate 1H-1H distances. I have a total of 50,000 inter-atom distance (H-H, C-O, C-N...all types). Any help is highly appreciated. Winston	nmrlearner	News from other NMR forums	0	04-25-2011 03:43 AM
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints. Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints. Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints. J Am Chem Soc. 2011 Apr 4; Authors: Ryabov Y, Schwieters CD, Clore GM (15)N R(2)/R(1) relaxation data contain information on molecular shape and size as well as on bond vector orientations relative to...	nmrlearner	Journal club	0	04-06-2011 10:54 AM
Impact of 15N R2/R1 Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints Impact of 15N R2/R1 Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints Yaroslav Ryabov, Charles D. Schwieters and G. Marius Clore http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja201020c/aop/images/medium/ja-2011-01020c_0002.gif Journal of the American Chemical Society DOI: 10.1021/ja201020c http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/3J1IyCLkQMQ	nmrlearner	Journal club	0	04-05-2011 10:37 AM
The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries Abstract Several pilot experiments have indicated that improvements in older NMR structures can be expected by applying modern software and new protocols (Nabuurs et al. in Proteins 55:483â??186, 2004; Nederveen et al. in Proteins 59:662â??672, 2005; Saccenti and Rosato in J Biomol NMR 40:251â??261, 2008). A recent large scale X-ray study also has shown that modern software can significantly improve the quality of X-ray structures that were deposited more than a few years ago (Joosten et al. in J. Appl...	nmrlearner	Journal club	0	01-09-2011 12:46 PM
[NMR paper] Carbonyl CSA restraints from solution NMR for protein structure refinement. Carbonyl CSA restraints from solution NMR for protein structure refinement. Related Articles Carbonyl CSA restraints from solution NMR for protein structure refinement. J Am Chem Soc. 2001 Nov 7;123(44):11065-6 Authors: Lipsitz RS, Tjandra N	nmrlearner	Journal club	0	11-19-2010 08:44 PM
[NMR paper] Atomic refinement using orientational restraints from solid-state NMR. Atomic refinement using orientational restraints from solid-state NMR. Related Articles Atomic refinement using orientational restraints from solid-state NMR. J Magn Reson. 2000 Nov;147(1):9-16 Authors: Bertram R, Quine JR, Chapman MS, Cross TA We describe a procedure for using orientational restraints from solid-state NMR in the atomic refinement of molecular structures. Minimization of an energy function can be performed through either (or both) least-squares minimization or molecular dynamics employing simulated annealing. The energy, or...	nmrlearner	Journal club	0	11-19-2010 08:29 PM
[NMRwiki tweet] nmrwiki: How to set up RAMA restraints for NIH-XPLOR? #nmr #structurehttp://qa.nmrwik nmrwiki: How to set up RAMA restraints for NIH-XPLOR? #nmr #structurehttp://qa.nmrwiki.org/question/193/ nmrwiki: How to set up RAMA restraints for NIH-XPLOR? #nmr #structurehttp://qa.nmrwiki.org/question/193/ Source: NMRWiki tweets	nmrlearner	Twitter NMR	0	11-02-2010 11:22 PM
Distance restraints for structure determination Distance restraints for structure determination Experimentally derived parameters for protein structure determination, Part 1: nOe distance restraints. Lecture by Dr. Matthew Cordes from University of Arizona. More...	nmrlearner	General	0	08-16-2010 03:50 AM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off