Sentence examples for preparing input from inspiring English sources

It also includes short scripts to help with preparing input files for each tool.

Much of the initial focus has been placed on preparing input and analyzing output from quantum calculations.

Other applications such as preparing input for MD simulations and visualizing periodic structures will also be presented, demonstrating the flexibility of the Avogadro platform.

AutoDockTools software, widely used as interface for preparing input files, utilizes the either Gasteiger or Kollman partial charge calculation method for both protein and ligand charge calculations.

Several extensions were developed for Avogadro that assist the user in preparing input files for popular quantum codes such as GAMESS-US, [67] NWChem, [68] Gaussian, [69] Q-Chem, [70] Molpro, [71] and MOPAC200x [72].

AutoDockTools software, the interface for preparing input files for one of the most widely used docking programs AutoDock 4, utilizes the Gasteiger partial charge calculation method for both protein and ligand charge calculation.

IMFs of EMD, EEMD and CEEMD have been derived for preparing inputs of the MF-DFA techniques.

Fedotov's office helped prepare input from NGOs and UN agencies, and the UN commission on narcotic drugs led negotiations between countries on the drug control document adopted Tuesday.

Fig. 9 The SiteSimEditor to prepare input data for construction simulation.

The so-called SiteSimEditor is a BIM-based tool to prepare input data for construction simulation (cf. Fig. 9).

The tasks associated with basic reservoir analyses provide information that is needed to prepare input data for a simulation study.