Group Information- Members: 245
- Category: Chemistry
- Founded: Jul 8, 2005
- Language: English
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Description
This little group is opened up to facilitate experience exchaning and discussing for sparky user. Sparky, a NMR spectrum peakpicking, assignment software, can be download at ucsf(http://www.cgl.ucsf.edu/home/sparky/).
The process from NMR data to the final structure calculation includes the following components. The raw data(fid or ser)-->use "NMRPipe" to do the Fourier transform et al.-->output to "Sparky" ucsf format, and do peak picking, volumn intergating et al-->output the noe peak volumn infomation to ARIA to do the structure calculation, and if you are lucky, the final structure can be got.
The nmrpipe's group "nmrpipe", the aria's group "aria-discuss" can be found in Yahoo-Groups too. I recommend you guys whose major is biomolecular NMR join these groups.
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Re: SPARKYHOME setting
Hi Nick, The way Sparky expects files in directories with fixed names (Save, Projects, ...) is horrible. That was developed in the early 1990s before Python
Posted - Mon Jun 22, 2009 5:52 pm
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Thomas Goddard
yopypu
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SPARKYHOME setting
Hi, I love sparky, but I find it's default directory organization in SPARKYHOME cumbersome, especially for multiple sets of data. Currently, whenever I load
Posted - Mon Jun 22, 2009 5:12 pm
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nickfitzkee
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Re: changing the 2-key shortcut
The email handling mangled the code I sent in the previous message. The session.add_command... and lambda... lines have to be indented for it to work.
Posted - Thu Jun 4, 2009 6:41 pm
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Thomas Goddard
yopypu
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Re: changing the 2-key shortcut
Hi Larry, The Sparky keyboard shortcuts are defined in the C++ code (command.cc). You could edit them and recompile Sparky but that is a good bit of trouble.
Posted - Thu Jun 4, 2009 6:35 pm
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Thomas Goddard
yopypu
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changing the 2-key shortcut
I would like to reassign the two letter shortcut for some functions in sparky. Could someone let me know how this can be done? Thanks!
Posted - Thu Jun 4, 2009 5:01 pm
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larryrmasterson
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