Question from NMRWiki Q&A forum Software to simulate pulse sequences

		BioNMR > NMR community > News from other NMR forums
[Question from NMRWiki Q&A forum] Software to simulate pulse sequences

Webservers

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:

Thread Tools

Search this Thread

Rate Thread

Display Modes

06-18-2014, 04:23 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,777

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

Software to simulate pulse sequences

Software to simulate pulse sequences

Hi,I'm interested in software for windows or linux that simulate the effect of pulses, delay AND gradients using the product operator formalism.Do you have suggestions?ThanksMarco

Check if somebody has answered this question on NMRWiki QA forum

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[BMNRC community] Software & Scripts and pulse sequences at Prof. YANG Daiwen? Lab Software & Scripts and pulse sequences at Prof. YANG Daiwen? Lab http://yangdw.science.nus.edu.sg/ Go to BMNRC community to find more info about this topic.	nmrlearner	News from other NMR forums	0	08-26-2010 06:37 AM
[Question from NMRWiki Q&A forum] Varian Biopack pulse sequences for intermolecular NOEs Varian Biopack pulse sequences for intermolecular NOEs Hi All, I'm trying to set up some experiments to determine intermolecular NOEs in a peptide:protein complex. At the moment from looking at the Biopack library, I have found 4 pulse sequences which will do this and each provide different information (gnoesyNhsqc_CN, gnoesyNhsqc_NN, gnoesyChsqc_CC and gnoesyChsqc_NC). Would people recommend using a combination of all four of these experiments to determine the intermolecular NOEs for use in structure calculations? Check if somebody has answered this question on NMRWiki QA forum	nmrlearner	News from other NMR forums	0	08-22-2010 02:30 AM
[Question from NMRWiki Q&A forum] Bruker Avance pulse sequences - where to find if not in TopSpin? Bruker Avance pulse sequences - where to find if not in TopSpin? I used to use Varian Inova systems with BioPack all the time, and now I'm using a Bruker Avance-III system geared for Chemistry, not biology. It's driving me crazy that I can't find the pulse sequences I'm used to using! Right now, I'd like to use a NOESY with WET water suppression, and I can't find one in the default set that came with the software. Where do I go for relatively simple pulse sequences for Avance systems? I see Bruker pulse sequences for advanced experiments on Ad Bax's site, at NMRFAM, and NMRWiki, but...	nmrlearner	News from other NMR forums	0	08-22-2010 02:30 AM
[Question from NMRWiki Q&A forum] How do you port pulse sequences to different field strength? How do you port pulse sequences to different field strength? Hi, when you set up a pulse sequence at a different magnet field strength - starting with an existing set of parameters - what do you look at? Does length of shaped pulses always need to be changed? What pulse lenghts need to be adjusted? When it is necessary to re-build RF waveforms - for what kinds of pulses?	nmrlearner	News from other NMR forums	0	08-22-2010 02:30 AM
[Question from NMRWiki Q&A forum] Are hardcoded values in bruker pulse sequences overridable? Are hardcoded values in bruker pulse sequences overridable? For example when there is a statement like this in the pulse program file "d12=20u" can I change value of d12 from the command line? Thanks.	nmrlearner	News from other NMR forums	0	08-22-2010 02:30 AM
[Question from NMRWiki Q&A forum] 2D pulse sequences for NMR of protein/peptide complexes? 2D pulse sequences for NMR of protein/peptide complexes? Hello, I am looking for some 15N/13C-filtered 2D NOESY and 2D TOCSY pulse sequences to run on a Varian 600. Does anyone have any ideas where I would get some tried and tested pulse sequence input files? Check if somebody has answered this question on NMRWiki QA forum	nmrlearner	News from other NMR forums	0	08-22-2010 02:30 AM
BMRB library of Bruker pulse sequences The following Bruker pulse sequences can be found on BMRB website. Shift correlation: Homonuclear Three-dimensional TOCSY-HSQC 3D experiment NOESY-HSQC 3D experiment Heteronuclear	nmrlearner	NMR pulse sequences	0	03-26-2005 06:18 AM
NMR pulse sequences of Danish Instrument Center The following NMR pulse sequences for biological macromolecules are available on the website of the Danish Instrument Center as of 3/15/05: Coupling Constants in Proteins - 2D S3CT for measurement of one bond coupling constants (J & RDC) - Varian, Bruker TROSY experiments - clean TROSY, 15N-1H correlation, gradient version, water flip back, optional t2 decoupling - Varian, Bruker - constant-time S3CT TROSY, 13 C-1H correlation, gradient version - Varian, Bruker - (H)CCH TROSY, 3D TROSY-type HCCH correlation with diagonal peak suppression - Varian - TROSY-Type NOESY, 2D NOESY with...	nmrlearner	NMR pulse sequences	0	03-16-2005 07:39 AM

« Previous Thread | Next Thread »

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