CNS Yahoo group Re: rigid_body

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[CNS Yahoo group] Re: rigid_body

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NMR processing:

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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:

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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

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NMR model quality:

NOEs, other restraints:

Chemical shifts:

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Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

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NMR spectrum prediction:

FANDAS

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V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

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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

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Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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11-30-2010, 08:14 PM

nmrlearner

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Re: rigid_body

Re: rigid_body

Not sure what happens to the sulphur, but your rigid body group definition is surely incorrect. Think carefully about the meaning of logical operators "and"

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[CNS Yahoo group] rigid_body rigid_body Hi I like to do rigid body refinement for the ligand molecule using CNS either 1.2/1.3. I did tried but it did not do well, it moved S atom far away. I used More...	nmrlearner	News from other NMR forums	0	11-30-2010 08:14 PM

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