Question from NMRWiki Q&A forum building chains of resonance groups from connectivities

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[Question from NMRWiki Q&A forum] building chains of resonance groups from connectivities

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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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02-08-2015, 01:21 AM

nmrlearner

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building chains of resonance groups from connectivities

building chains of resonance groups from connectivities

Greetings,

Given a dictionary of connectivities of the following form:

residue i -> possible residues i-1 :

54 -> 23, 45, 6712 -> 78, 543 -> 4 ,7etc.

where the number above are not residue number, but resonance groups. I want to find all possible chains of resonance groups, for example:

(38, 50, 76, 63, 78)(38, 50, 76, 63, 45, 90)(38, 12, 30)(64, 53, 60)(64, 53, 20, 44)etc.

I think this is a common problem in NMR, so I would like to ask if anyone knows any program or Sparky plugin that does a similar job to use it as a reference.

Check if somebody has answered this question on NMRWiki QA forum

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