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 NMR blogs
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  
Unread 10-09-2017, 02:19 AM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,175
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 Free naming of organic structures

Free naming of organic structures

Mnova 12contains some nice little gems that may be specially appreciated by organic chemists. For example, this new version features an improved molecular editor which includes a new tool for the generation of IUPAC names from a molecular structure.







Is it really free?


When you download and install Mnova 12, you can get a license for the IUPAC Naming component, with no restrictions. We are still deciding the final licensing model for this feature, but for the moment, this license will be valid for 6 months.


More...

Source: NMR-analysis blog
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
Organic Structures from 2D NMR Spectra
Organic Structures from 2D NMR Spectra http://media.wiley.com/product_data/coverImage/43/11188689/1118868943.jpgThe derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. Over recent years, a number of powerful two-dimensional NMR techniques (e.g. HSQC, HMBC, TOCSY, COSY and NOESY) have been developed and these have vastly expanded the amount of structural information that can be obtained by NMR spectroscopy. Improvements in NMR instrumentation now mean that 2D NMR spectra are routinely (and sometimes...
nmrlearner Books 0 07-03-2015 07:40 PM
Organic Structures from 2D NMR Spectra
Organic Structures from 2D NMR Spectra http://media.wiley.com/product_data/coverImage/43/11188689/1118868943.jpgThe derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. Over recent years, a number of powerful two-dimensional NMR techniques (e.g. HSQC, HMBC, TOCSY, COSY and NOESY) have been developed and these have vastly expanded the amount of structural information that can be obtained by NMR spectroscopy. Improvements in NMR instrumentation now mean that 2D NMR spectra are routinely (and sometimes...
nmrlearner Books 0 05-14-2015 04:52 AM
Instructors Guide and Solutions Manual to Organic Structures from 2D NMR Spectra
Instructors Guide and Solutions Manual to Organic Structures from 2D NMR Spectra http://media.wiley.com/product_data/coverImage/5X/11190272/111902725X.jpgThe text Organic Structures from 2D NMR Spectra contains a graded set of structural problems employing 2D-NMR spectroscopy. The Instructors Guide and Solutions Manual to Organic Structures from 2D NMR Spectra is a set of step-by-step worked solutions to every problem in Organic Structures from 2D NMR Spectra. While it is absolutely clear that there are many ways to get to the correct solution of any of the problems, the instructors guide...
nmrlearner Books 0 05-14-2015 04:52 AM
[NMR paper] Solid-state NMR studies of metal-free SOD1 fibrillar structures.
Solid-state NMR studies of metal-free SOD1 fibrillar structures. Related Articles Solid-state NMR studies of metal-free SOD1 fibrillar structures. J Biol Inorg Chem. 2014 Apr 10; Authors: Banci L, Blaževitš O, Cantini F, Danielsson J, Lang L, Luchinat C, Mao J, Oliveberg M, Ravera E Abstract Copper-zinc superoxide dismutase 1 (SOD1) is present in the protein aggregates deposited in motor neurons of amyotrophic lateral sclerosis (ALS) patients. ALS is a neurodegenerative disease that can be either sporadic (ca. 90*%) or familial...
nmrlearner Journal club 0 04-11-2014 02:51 PM
[NMR tweet] Organic Chemistry - NMR - Nuclear Magnetic Resonance Made Easy(1/6) Electronegativity and Shielding: Organic C... http://t.co/Sb4kIorQxP
Organic Chemistry - NMR - Nuclear Magnetic Resonance Made Easy(1/6) Electronegativity and Shielding: Organic C... http://t.co/Sb4kIorQxP Published by bionmr (Bio NMR) on 2013-04-29T12:44:08Z Source: Twitter
nmrlearner Twitter NMR 0 04-29-2013 01:37 PM
Determing organic structures from IR/NMR
Determing organic structures from IR/NMR http://i.ytimg.com/vi/Mx5d14ZCubs/default.jpg Determing organic structures from IR/NMR In this video I use the molecular formula, IR spectrum, and NMR spectrum to determine the organic structure. From:Jeremy McCallum Views:1206 http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif...
nmrlearner NMR educational videos 0 04-20-2013 02:07 AM
Organic Structures from Spectra, 5th Edition
Organic Structures from Spectra, 5th Edition http://media.wiley.com/product_data/coverImage/94/11183254/1118325494.jpgThe derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. A critical part of any such course is a suitable set of problems to develop the student’s understanding of how structures are determined from spectra. Organic Structures from Spectra, Fifth Edition is a carefully chosen set of more than 280 structural problems employing the major modern spectroscopic techniques, a selection of 27...
nmrlearner Books 0 04-20-2013 02:07 AM
Evolution of organic matter during composting of different organic wastes assessed by
Evolution of organic matter during composting of different organic wastes assessed by CPMAS (13)C NMR spectroscopy. Related Articles Evolution of organic matter during composting of different organic wastes assessed by CPMAS (13)C NMR spectroscopy. Waste Manag. 2010 Oct 19; Authors: Caricasole P, Provenzano MR, Hatcher PG, Senesi N In this paper, the evolution of organic matter (OM) during composting of different mixtures of various organic wastes was assessed by means of chemical analyses and CPMAS (13)C NMR spectroscopy measured during...
nmrlearner Journal club 0 10-23-2010 05:48 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 Off
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 12:23 AM.


Map