Difference between revisions of "User:Troels Emtekær Linnet"

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yCAR_ppm = 118.078
 
yCAR_ppm = 118.078
 
</source>
 
</source>
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= run relax at cloud.sagemath.com =
 
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== Try relax at cloud.sagemath.com ==
 
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This tutorial shows how to get relax running at cloud.sagemath.com.
 
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cloud.sagemath.com is optimal for
 
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* fully functional linux and python environment
 
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* online accessibility
 
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* rapid installation of relax
 
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* testing purposes
 
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* teaching
 
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cloud.sagemath.com is not the optimal for
 
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* long-time calculations stretching over several days
 
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* multiple CPU's (above 4 CPU's )
 
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Other info related to the sagemath project
 
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* The benefits are well explained here: http://www.sagemath.org/library-why.html
 
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=== pricing ===
 
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* The pricing is here: https://cloud.sagemath.com/policies/pricing.html
 
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The meanings are
 
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* '''Member hosting:''' This lets you move a project to a members-only server, which has much less load.  If you have 16 of these, you can move 16 projects.  You can change which projects you move at any time, though it can take a little while to move a project (depending on load).
 
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* '''Network access:'''' This makes it so your project has 100% access to the whole internet, so you can connect to any external website.  Otherwise, there is a small whitelist of sites (e.g., pypi, github) that a project may connect to.
 
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* ''' Idle timeout''' You can allocate time between projects so that if you just shut your browser and come back (or aren't active), the project will continue running your code instead of just shutting down. By default, projects top running after 1 hour of not being actively used through a web browser.
 
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* '''CPU shares:''' This allows you to increase your priority relative to other users on the same computer.  So if the system is loaded, your code will run a bit faster than other users.
 

Latest revision as of 15:59, 28 November 2015

Troels Emtekær Linnet PhD student Copenhagen University SBiNLab

Tests

80px 80px

 

<include src="https://raw.github.com/Pymol-Scripts/Pymol-script-repo/master/cyspka.py" />

Test2

<include src="http://www.ietf.org/rfc/rfc1945" />

Test DPL imagecontainer=Screenshots

[[%PAGE%|thumb|185px|A random relax screenshot. See Screenshots.]]


SeriesTab

ls -v -d -1 */*.ft2 > allplanes.list

cd analysis_FT/int_corr_ft_method_all_awk/coMDD
seriesTab -in peaks.dat
seriesTab -in ../../peaks.dat -out allplanes_coMDD_ser.ser -list allplanes_coMDD.list

Test randomimagebycategor


Test

from math import pi
from lib import nmr
from lib.physical_constants import return_gyromagnetic_ratio


id = 'test'
H_frq = 900.0e6
B0_tesla =  H_frq / return_gyromagnetic_ratio(nucleus='1H') * 2.0 * pi
print "B0 in Tesla:", B0_tesla
isotope = '15N'

yOBS_N15_rad_s = return_gyromagnetic_ratio(nucleus=isotope) * B0_tesla
yOBS_N15_ppm = nmr.frequency_to_ppm_from_rad(frq=yOBS_N15_rad_s, B0=H_frq, isotope=isotope)

print yOBS_N15_ppm

# Convert hz
offset_hz = 2100.
offset_ppm = nmr.frequency_to_ppm(frq=offset_hz, B0=H_frq, isotope=isotope)
print offset_ppm


#yOBS_rad_s = return_gyromagnetic_ratio(nucleus=isotope) * B0_tesla
#print yOBS_rad_s
#yOBS_ppm = nmr.frequency_to_ppm_from_rad(frq=yOBS_rad_s, B0=H_frq, isotope=isotope)
#print yOBS_ppm


# Center carriage In ppm
yCAR_ppm = 118.078
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