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NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
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:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
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:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR

Showing results 1 to 2 of 2
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Search: Threads Started By: Ramon989
  Thread / Thread Starter Last Post Replies Views Forum
Go to first new post Decoupling, what modultaion frequency to use ?
Hi all, Perhaps a stupid question, but so far no one answered this one to me. I want to find out what decoupler modulation frequency (dmf in Varian syntax) is needed to properly decouple observed couplings. Can anyone tell me ? I am looking for a practical answer. I found a paper on decoupling, i.e. Shaka, A.J., Keeler, J. (1987): Progr. NMR Spectroscopy, 19, 47-129. Although this paper is formally correct, it is also very hard to read. So let's make a practical example: On an 800MHz machine, the carrier is on water (4.5 ppm), and there are imino protons resonating at 12-14 ppm....
Ramon989
12-13-2010 06:56 AM
by warner Go to last post
1 15,047 NMR Questions and Answers
Go to first new post RDC refinement, via gyration tensor
Hi, I am trying to find an alignment tensor for my RNA molecule. This I want to do by calculating the gyration tensor, and derive the alignment tensor. like in J. Biomol. NMR (2006) 35, pp. 103-115 problem is to do relatively simple manipulations in xplor For example calculate the product of x-coordinate times y-coordinates of all atoms in the PDB file.
Ramon989
08-27-2007 12:39 PM
by Ramon989 Go to last post
0 31,811 NMR structure calculation
Showing results 1 to 2 of 2

 
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