Gary Thompson

122 posts

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Gary Thompson

Gary Thompson

@continuousspin

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

Katılım Aralık 2010
46 Takip Edilen33 Takipçiler
60% Water By Mass
60% Water By Mass@MoleculesGoHard·
How many peaks in 1H NMR at room temperature?
60% Water By Mass tweet media
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Gary Thompson
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!
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Ewan Clark
Ewan Clark@ClarkGroupChem·
Well, this morning marks my first day at @UniofGreenwich which is exciting. It also marks running out of @continuousspin 's amazing homemade marmalade, which is sad. Oh well, out with the old, in with the new!
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Gary Thompson
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
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Gary Thompson
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
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Keith Hornberger
Keith Hornberger@KRHornberger·
My son was just asked to provide the name for this compound in his high school chemistry homework and I can’t even ⭐️ 🤠 🐴
Keith Hornberger tweet media
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Gary Thompson
Gary Thompson@continuousspin·
NEF-Pipelines 0.1.41 released with support for import of xeasy [flya dialect] sequence, shifts and peaks
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Gary Thompson
Gary Thompson@continuousspin·
NEF-Pipelines 0.1.37 released with improved parsing of sparky peak assignments
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Gary Thompson
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!
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Gary Thompson
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
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Gary Thompson
Gary Thompson@continuousspin·
NEF-Pipelines 0.1.30 released with support for exporting sparky peaks and assignments
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Gary Thompson
Gary Thompson@continuousspin·
nef pipelines 0.1.24 released with support for rdcs from csv files and output to pales and xplor
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Gary Thompson
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!
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Gary Thompson
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
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Gary Thompson
Gary Thompson@continuousspin·
Nef-piplines v0.1.22 released main change the test command now works
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Reuben Hudson
Reuben Hudson@reuhudson·
NMR folks: suggestions for an internal standard for 1H NMR (in water), where I’m looking for trace amounts of formate, acetate, pyruvate, methanol, and other CO2 reduction products? Phloroglucinol (1,3,5-benzenetriol)?
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Ewan Clark
Ewan Clark@ClarkGroupChem·
The face of a woman who has not yet realised the magnitude of the mistake she has made.
Ewan Clark tweet media
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