(((((((((((((((((((((((((((((((((((((TTH))))))))))))))))))))))))))))))))))))) (((((((((((((((((((((((((((((((((((((TTH))))))))))))))))))))))))))))))))))))) (((((((((((((((((((((((((((((((((((((TTH))))))))))))))))))))))))))))))))))))) (((((((((((((((((((((((((((((((((((((TTH))))))))))))))))))))))))))))))))))))) (((((((((((((((((((((((((((((((((((((TTH)))))))))))))))))))))))))))))))))))))
I missed you that much
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Izzie
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Fri 4 Apr, 2008 01:26 pm
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TTH
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Fri 4 Apr, 2008 01:32 pm
Hi bigred, Izzie and Try
I can't stay long because I have to go somewhere. Try, Tryst is after bigred and before you
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Tryagain
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Fri 4 Apr, 2008 01:37 pm
That is sweet of you TTH, Red has a bad back so I don't expect he is up for much; the Pink guy is gay; so things are looking up!
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bigredsshop
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Fri 4 Apr, 2008 01:52 pm
Try I wont be needing my back at all, at least not for what your thinking of, don't get around much do ya fella. I bet when you do get around all the gals run away You put it on so thick that they should run.
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bigredsshop
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Fri 4 Apr, 2008 01:56 pm
Try you crack me up. TTH & Izzie ya'll have a good day.
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Tryagain
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Fri 4 Apr, 2008 01:57 pm
Ouch! That brought me back to earth with a bump. It's these darn walking sticks, I can't keep up. Heck if I want a date I gotta go down the morgue!
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Izzie
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Fri 4 Apr, 2008 02:00 pm
Oh, Blue - you're such a sex morgul :wink:
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Tryagain
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Fri 4 Apr, 2008 02:03 pm
Hey, I may be Chinese, but I ain't no Mogul!
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bigredsshop
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Fri 4 Apr, 2008 02:04 pm
Tryagain wrote:
Ouch! That brought me back to earth with a bump. It's these darn walking sticks, I can't keep up. Heck if I want a date I gotta go down the morgue!
Keep the cold and clammy ones for yourself Try.
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bigredsshop
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Fri 4 Apr, 2008 02:05 pm
Catch ya'll later. :wink:
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Izzie
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Fri 4 Apr, 2008 02:07 pm
Later Big Red - good to see you mate.
Blue:
Could you may be a Mogul of this sort:
Mogul - A Knowledge Base of Molecular Geometry
Mogul provides easy access to information on the preferred values of bond lengths, valence angles and acyclic torsion angles, using data derived from the CSD.
Given the instruction to retrieve data for a particular geometric feature in an input molecule, e.g. a valence angle, Mogul will automatically generate atom- and bond-based keys that describe the environment of that feature. These keys are then used to retrieve all CSD entries that contain the feature of interest.
The resulting statistics, such as the mean and median valence-angle values can then be displayed interactively in the graphical interface or passed via an ASCII file interface to other programs.
Mogul features:
Graphical or command-line interfaces
Easy query definition: import molecules in a variety of file formats or sketch a 2D structure. Simple one-click search for any selected bond, angle or torsion (Fig. 1)
Fast search speeds including the ability to find structurally related entries if insufficient hits are found
Graphical interface allowing inspection of bond length, valence angle and torsion angle histograms, selection/deselection of histogram bars (Fig. 2), viewing of crystal structures contributing to the histogram (Fig. 3) and filtering of results
Easy integration with client applications, e.g. Crystals http://www.xtl.ox.ac.uk, via an instruction file interface
Validation experiments indicate that, with rare exceptions, search results afford precise and unbiased estimates of molecular geometrical preferences, see Product references.