Gary Thompson

Bio NMR Spectroscopist & Facility Manager at the University of Kent. Software developer with CCPN (Collaborative Computing Project for NMR).

[Gary Thompson @continuousspin]

@MoleculesGoHard lol

[Gary Thompson @continuousspin]

@MoleculesGoHard Well actually a better answer is it depends... at very low temperatures it is 4 but at room temperature it's in chemical exchange between multiple valence tautomers giving a single peak. cheeky!

[Gary Thompson @continuousspin]

@ClarkGroupChem @UniofGreenwich Also much good luck with the new job and look forward to seeing you soon

[Gary Thompson @continuousspin]

@ClarkGroupChem @UniofGreenwich Well the marmalade situation can easily be remedied!

[Gary Thompson @continuousspin]

Updates to NEF-Pipelines 0.1.60 Bug fixes, better support for MARS, improved support for generating synthetic peak lists including 13C detect spectra for IDPs

[Gary Thompson @continuousspin]

NEF-Pipelines version 0.1.53

***BMRB and NMR-STAR support [sequences, shifts and direct downloads from the BMRB]****

Plus lots of new features in NEF-Pipeline since 0.1.41 XEASY & FLYA support, DNS/RNA support for fasta, TALOS import & export and more

[Gary Thompson @continuousspin]

@KRHornberger impossibilium?

[Gary Thompson @continuousspin]

@JenniferHiscoc2 @NatureNano @bengoult @SupraKira @GTWilliamsChem @UniKent To use a phrase whoop whoop

[Gary Thompson @continuousspin]

@xsgames_ heisenbug

[Gary Thompson @continuousspin]

NEF-Pipelines 0.1.41 released with support for import of xeasy [flya dialect] sequence, shifts and peaks

[Gary Thompson @continuousspin]

NEF-Pipelines 0.1.37 released with improved parsing of sparky peak assignments

[Gary Thompson @continuousspin]

NEF-Pipelines 0.1.36 with:
* support for sparky (import peaks and sequences)
* RNA and DNA support in sparky as well - now why would that be!

[Gary Thompson @continuousspin]

nef pipelines releases version 0.1.34 [changes from 0.1.30 onwards]

* add rpf shift list exporter
* add sparky peak list importer [alpha no tests]
* add ability to rename nef frames
* add about verbose option
* add shifts make peaks

[Gary Thompson @continuousspin]

NEF-Pipelines 0.1.30 released with support for exporting sparky peaks and assignments

[Gary Thompson @continuousspin]

nef pipelines 0.1.24 released with support for rdcs from csv files and output to pales and xplor

[Gary Thompson @continuousspin]

Fastest start to finish on adding a tool to nef pipelines: 1 hour for the basics of adding a sparky shift reader. Look for it in the distribution soon!

[Gary Thompson @continuousspin]

nef pipelines v0.1.23 published highlights

support reading xplor dihedral & distance restraints [but only single atom selections for distances]
read sequences from xplor psf files
run tests from the command line [nef test]
improvemenets to help text and error messages

[Gary Thompson @continuousspin]

Nef-piplines v0.1.22 released main change the test command now works

[Gary Thompson @continuousspin]

@reuhudson @nmr900 dss or tsp deuterated?

[Gary Thompson @continuousspin]

@ClarkGroupChem Woo hoo congratulations (I am sure it’s a very negative mistake ;-))