These structure files can be used to general X-Ray structure factors which are then used as input for the PTBV routine in NUMIS . Microscope parameters can be changed through the MICROVB routine.
22.
Some were designed specifically for evaluating NMR structures such as Procheck-NMR while others were designed more for structure quality evaluation and validation of X-ray structures such as MolProbity, and RosettaHoles2.
23.
The X-ray structure revealed longer N C bond lengths in the ring of the carbene than in the parent imidazolium compound, indicating that there was very little double bond character to these bonds.
24.
However, this compound is formed from the Sm ( II ) complex, and X-Ray structures of the Sm ( II ) complex have shown that there was enough room for a third spot.
25.
Also, X-ray structures of ( C 5 Me 5 ) 3 Sm show that the C 5 Me 5 s are 0.1 Angstroms further from the metal than normally predicted and expected.
26.
A further refinement to the conformation of pyranose rings came when Sponsler and Dore ( 1926 ) realized that Sachse s mathematical treatment of six-membered rings could be applied to their X-ray structure of cellulose.
27.
In the field of organometallic chemistry, the X-ray structure of ferrocene initiated scientific studies of sandwich compounds, while that of Zeise's salt stimulated research into " back bonding " and metal-pi complexes.
28.
Their capsid shells are assembled from 60 icosahedrally-ordered copies of a single core protein ( VP ) sequence, but some of these VP proteins also have N-terminal extensions that are not visible in X-ray structures.
29.
After training and appropriate validation on independent tests sets, this SVR model is able to estimate the resolution of solved X-ray structures with a correlation coefficient of 0.92, mean absolute error of 0.28 Angstroms.
30.
Histogram of ResProx equivalent resolution for NMR models and experimental resolution for X-ray structures . 500 NMR ensembles and 500 X-ray structures were randomly selected from the PDB . Proteins were grouped in 0.25?resolution bins.
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