Is anyone familiar in calculating Hbonds using WHATIF. My lab has the software and I need to calculate the hbonds from our starting pdb. Or can you tell me...
hi all, after a couple of hours of work with sparky 3.11 and python 2.3 on a linux box, i noticed that python seems to hang: top shows a process python2.3 w/...
Hi Markus, Does the 99% CPU usage only start after you quit Sparky? If Sparky is not drawing contours or integrating peaks then its CPU usage should drop to...
hi tom, ... no, i don't think so. but see below ... [snip] ... that sounds precisely like the problem i have. i mean, it's not a real problem, i can still...
Hi Markus, It still is on my todo list to make a new Sparky release with the menu problem fixed. The effort probably will take 1 or 2 days work, mostly...
Dear users, We have got data sets from relaxation experiments. We would like to integrate series of peaks using box method , instead of a typical gaussian or...
Hi Kamil, There is only one way I can see to integrate peaks in multiple spectra using the same box. Unfortunately it involves integrating each peak one at a...
Dear all, I'm trying to install Sparky on AMD 64 Athlon X2 with Fedora Core 4 but after the installation the program doesn't run and I receive this error: ...
Dear Marianna My question is : are You running x86 (32bit) version of Fedora Core or AMD64(64bit) version? Have You installed the binnaries or compiled sparky...
Dear Kamil, I'm running 64bit version of Fedora Core 4 and I installed the binary version of Sparky. have you some suggestions to solve my problem? do you...
hey group, does anybody have a script that spits out the chemical shifts in a format suitable for use with wishart's CSI program? i'm sure something like this...
I have put a Sparky 3.112 release candidate on the Sparky web site. http://www.cgl.ucsf.edu/home/sparky/ It fixes a bug in Sparky version 3.111 that caused...
Sorry for the slow response. I've uploaded a script "csi_output.py" to the group (http://groups.yahoo.com/group/nmr_sparky/files/), which runs within Sparky....
Hi Andrew, That's great that you have put Sparky scripts on SourceForge. I have been wondering whether putting Sparky on SourceForge would be of help to...
Hi to all! Now I have a question during peak picking.I wanner autopick peaks with the label numbering 1,2......on each peak.Can sparky do that? Do someone...
Hi JLee, Sparky does not have a command to number peaks 1, 2, 3, ... but here is Python code that adds accelerator "np" to Sparky that numbers the selected...
... <andrewjamesperry2002-yahoo-com-au@...> wrote: hi andrew, ... thanks for postng the script. i've downloaded it, but i still have to try it. i'll post my...
... like this? use an unfolded c13hsqc peaklist to do restricted peakpicking, clean up peak list, run CANDID or ARIA or use the strip plot option to look at...
hi andrew, i was about to test your script, but i can't set up. i copied the suggested lines from the header into my sparky_init.py (attached at the end) and i...
Hi all This is the first time that I write something on this excellent group recently I now running the sparky in Fedora core 4 linux. It seems to work very...
... you can not combine all versions of sparky and chimera see the 'setup' section in http://www.cgl.ucsf.edu/home/sparky/manual/extensions.html#Chimera I...
Hi, I have a series of HSQC spectra that I am using to calculate relaxation parameters for my protein. However, when I use the RH command to integrate the...
RH does curve fitting, not integration, so I hope I am following along alright. If the fitting is being terribly slow, try fitting fewer peaks. If you have...
Hi Tiago, Fitting the decaying exponential A*exp(Bt) to peak heights uses a gradient descent type of approach in the parameter space (A,B). The fitting is...
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