Sentence examples for conversion of structures from inspiring English sources

This code enables Jmol to support 2D to 3D conversion of structures (through energy minimisation).

This large energy difference indicates the difficulty of the conversion of structures (b) to (c) which argued the step wise process of nucleophilic attack.

On the contrary, the conversion of structures (a) to (c, 20.96) or (c) to (d, 80.54) is takes placed with dramatic increase in the percentage contribution of Modxy to the HOMO which assures the inexistence of structure (b) in the reaction mechanism.

Many factors, such as accuracy of predicted structures and conversion of structures into the informative graph properties influence the prediction performance.

Therefore, transition state one (TS1) proposed for the reaction mechanism (Fig. 9) is not existed and the energy barrier between structures (b) and (c) is large (Fig. 10) which makes the conversion of structure (b) to structure (c) difficult.

This is a marked improvement over the number of rounds required in most selections and the time taken for further conversion of structure-switching aptamers into fluorescent devices.

The development of TIPdb-3D contained two parts: the conversion of 2D structures from existing chemicals in TIPdb to 3D structures, and the collection of 3D structures from the existing 3D structure databases of KNApSAcK-3D.

The original non-stereo Java algorithm [2] was tested by performing conversions of structure files from MOLFILE format into MCDL format and back.

For those chemicals that Balloon failed to generate 3D structures, DG-AMMOS was applied to the conversion of 3D structures, and hydrogen atoms were subsequently added by using Open Babel (19).

Instead, there is a reversible structural transition involving conversion of PPII structure to β sheet structure, upon heating, with no attendant aggregation even at 90 °C.

A large number of these 3D structures were generated by software tools for the conversion of 2D structures into 3D.