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Showing posts with label octave. Show all posts
Showing posts with label octave. Show all posts
03 March 2013

353. Cygwin with octave and gnuplot on windows XP.

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Here's my fourth Windows XP post. Again, the goal is primarily to get Gnuplot and Octave working on Windows, together with sed, gawk a...
7 comments:
25 January 2013

327. Installing Octave, Gnuplot, maxima etc on OSX 10.8.2 via macports

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Update 7 Feb 2013: Got my hand on a Mac again and sorted out the octave forge packages. NOTE: while on the surface this has little to do w...
19 December 2012

294. Bruker 1D processing using octave/matlab

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I wanted a set of scripts that behaved a little bit like the commands in bruker xwin-nmr/topspin, so that I could do some quick processing f...
3 comments:
29 September 2012

249. Quick but precise isotopic pattern (isotope envelope) calculator in Octave

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UPDATE: Below is an accurate calculator,  but it is impractically slow for large molecules. A practical AND accurate calculator is found he...
1 comment:
14 June 2012

191. Thinking about Molecular volume -- and is cosmo/nwchem yielding the right ones?

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Disclaimer: I'm an neither a theoretical nor computational chemist. I'm an analytical/inorganic chemist who likes computers. Don...
1 comment:
06 June 2012

177. Jerry-rigging g09 UV/VIS spectra in gnuplot and/or octave

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EDIT: I had a nicer post with lots of figures before. Because I realised that the data is good enough to be included in a future paper we...
20 July 2011

7. Processing 1D Bruker nmr data

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Bruker 1D binary NMR files can be processed using a combination of cat, grep, sed, gawk and od, together with python and octave (w/ octave-o...
9 comments: