Stan NMR blog Am I drilling a hole in the middle?

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[Stan NMR blog] Am I drilling a hole in the middle?

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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:

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03-26-2012, 07:34 PM

nmrlearner

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Am I drilling a hole in the middle?

Am I drilling a hole in the middle?

Will new NMR software make redundant some NMR jobs?

Source: Stan blog library

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[NMR software blog] Universal Hole Universal Hole Earlier in this week I cited a paper by Kobzar and Luy. It contains the statement: The coupling extraction procedure is not yet implemented in any available software. that confirms and enforces what I have always being saying: Any NMR program contains some hole and by the time it's filled another hole appears. What they have found is a kind of super-hole that is common to every program. My first thought would normally be: "If nobody cares, why should I?", but this time I was intrigued by a figure just above the cited statement. That figure resembles a picture of mine I...	nmrlearner	News from NMR blogs	0	08-21-2010 06:29 PM

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