Sentence examples for packages to calculate from inspiring English sources

It is now possible, using readily available computer packages, to calculate the energies and properties of many small molecules to an accuracy that can rival that obtained experimentally.

In addition, Rcpi (the protein and small molecule descriptor calculation package for R [15]) is the only R package to calculate small molecular descriptors and protein descriptors.

We used the PERPLE_X computer software package to calculate P T pseudosections.

These loads are then used within a finite element package to calculate strain spectra within the frame.

Previously simulated photogeneration profiles are incorporated into the Device software package to calculate the I-V characteristics of considered devices.

Time-dependent DFT [47] was invoked within this package to calculate UV absorption spectra of C60 and He2@C60.

Computer program was developed which utilizes arbitrary numerical precision software package to calculate the statistics of large libraries.

We used the PSCMP/PSGRN software package to calculate the coseismic Coulomb stress changes resulting from the Jiuzhaigou earthquake (Wang et al. 2006).

Convergence to a stable posterior sample of values was assessed by visually inspecting the traceplot of simulated values and with the R coda package to calculate the Brooks-Gellman-Rubin statistic, which compares within chain variation to across chain variation (Plummer et al. [2012]).

We used the Limma program in the R-based Bioconductor package to calculate the level of differential expression [49].

We used the Limma program in the R-based Bioconductor package to calculate the level of gene differential expression for each comparison [37].