BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > NMR community > News from other NMR forums
Advanced Search
Home Forums Wiki NMR feeds Downloads Register Today's Posts



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
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


Reply
 
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Old 08-22-2011, 05:22 AM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,734
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default NMRPipe: propagating resonance positions to multiple spectra

NMRPipe: propagating resonance positions to multiple spectra

Hello,

Is it possible in NMRPipe to:
  1. Generate a peak table for a new spectrum using the resonance positions in an existing peak table?
  2. Update the peak intensities in the existing peak table from the current spectrum?
I have a set of relaxation data, and currently to obtain peak heights at different delays I have to manually define the peaks in all HSQCs, which is rather time consuming. Furthermore, if I decide to re-process the spectra, the previously generated peak tables are useless, as the peak heights are read from the peak table file, rather than from the current spectrum.

Ideally, what I am looking for is:
  1. Generate an assigned peak table for the first spectrum.
  2. Load i-th spectrum, use the assigned peak table to define the resonances in the i-th spectrum.
  3. Read the intensities at given resonance positions in the i-th spectrum and write them to the new peak table.
Thank you,

Vitaly



Check if somebody has answered this question on NMRWiki QA forum
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[NMRpipe Yahoo group] Re: Propagating resonance positions to multiple spectra
Re: Propagating resonance positions to multiple spectra Thank you, Frank. The autoFit.tcl script does exactly what I needed. Vitaly More...
NMRpipe Yahoo group news News from other NMR forums 0 08-24-2011 05:43 AM
[NMRpipe Yahoo group] Re: Propagating resonance positions to multiple spectra
Re: Propagating resonance positions to multiple spectra Thank you, Frank. The autoFit.tcl script does exactly what I needed. Vitaly More...
NMRpipe Yahoo group news News from other NMR forums 0 08-24-2011 05:39 AM
[NMRpipe Yahoo group] Re: Propagating resonance positions to multiple spectra
Re: Propagating resonance positions to multiple spectra If you are building individual peak tables for each plane of a 2D relaxation series, there's probably a better way to do the analysis. Have a look at the More...
NMRpipe Yahoo group news News from other NMR forums 0 08-23-2011 05:31 PM
[NMRpipe Yahoo group] Propagating resonance positions to multiple spectra
Propagating resonance positions to multiple spectra Hello, Is it possible in NMRPipe to: 1. Generate a peak table for a new spectrum using the resonance positions in an existing peak table? 2. Update the peak More...
NMRpipe Yahoo group news News from other NMR forums 0 08-22-2011 05:26 PM
Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site.
Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site. Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site. Phys Chem Chem Phys. 2010 Nov 14;12(42):13999-4008 Authors: Edwards R, Madine J, Fielding L, Middleton DA Knowledge of the three-dimensional structure of a ligand in the binding site of its biological...
nmrlearner Journal club 0 02-04-2011 11:34 AM
[NMR paper] Generalized reconstruction of n-D NMR spectra from multiple projections: application
Generalized reconstruction of n-D NMR spectra from multiple projections: application to the 5-D HACACONH spectrum of protein G B1 domain. Related Articles Generalized reconstruction of n-D NMR spectra from multiple projections: application to the 5-D HACACONH spectrum of protein G B1 domain. J Am Chem Soc. 2004 Feb 4;126(4):1000-1 Authors: Coggins BE, Venters RA, Zhou P Reconstructing multidimensional NMR spectra from 2-D projections significantly reduces the time needed for data collection over conventional methodology. Here, we provide a...
nmrlearner Journal club 0 11-24-2010 09:25 PM
[NMR paper] Cooperativity of a protein folding reaction probed at multiple chain positions by rea
Cooperativity of a protein folding reaction probed at multiple chain positions by real-time 2D NMR spectroscopy. Related Articles Cooperativity of a protein folding reaction probed at multiple chain positions by real-time 2D NMR spectroscopy. Biochemistry. 2000 Jul 11;39(27):7910-9 Authors: Steegborn C, Schneider-Hassloff H, Zeeb M, Balbach J The refolding reaction of S54G/P55N ribonuclease T1 is a two-step process, where fast formation of a partly folded intermediate is followed by the slow reaction to the native state, limited by a trans -->...
nmrlearner Journal club 0 11-19-2010 08:29 PM



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



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2024, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 11:04 PM.


Map