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Software tools for molecular design-Tinker-OpenMM [6] Software tools for molecular design-Tinker-HP [7] Proprietary, gratis Washington University: UCSF Chimera: Yes Yes Yes No No No No No No Visually appealing viewer, amino acid rotamers and other building, includes Antechamber and MMTK, Ambertools plugins in development. Proprietary, free ...
Software by Markes International used with BenchTOF time-of-flight mass spectrometers. TopFD Open source: TopFD (Top-down mass spectral Feature Detection) is a software tool for top-down spectral deconvolution and a successor to MS-Deconv. It groups top-down spectral peaks into isotopomer envelopes and converts them to monoisotopic neutral masses.
The reduction rate of the cycloidal drive is obtained from the following formula, where P means the number of the ring gear pins and L is the number of lobes on the cycloidal disc. = Single-stage efficiency approaches 93% and double-stage approaches 86%. [3]
The number of notable protein-ligand docking programs currently available is high and has been steadily increasing over the last decades. The following list presents an overview of the most common notable programs, listed alphabetically, with indication of the corresponding year of publication, involved organisation or institution, short description, availability of a webservice and the license.
List of free analog and digital electronic circuit simulators, available for Windows, macOS, Linux, and comparing against UC Berkeley SPICE. The following table is split into two groups based on whether it has a graphical visual interface or not.
Free: Linux, MacOS, Windows, Solaris: GOMA: GOMA is an open-source, parallel, and scalable multiphysics software package for modeling and simulation of real-life physical processes, with a basis in computational fluid dynamics for problems with evolving geometry. Sandia National Laboratories, University of New Mexico: 6.1: Aug 28, 2015: GPL ...
The SIRIUS software is developed by the group of Sebastian Böcker at the Friedrich Schiller University Jena, Germany and since 2019 together with Bright Giant GmbH.SIRIUS development started in 2009 as a software for identification of the molecular formula by decomposing high-resolution isotope patterns (also called MS1 data). [1]
The use of optimization software requires that the function f is defined in a suitable programming language and connected at compilation or run time to the optimization software. The optimization software will deliver input values in A , the software module realizing f will deliver the computed value f ( x ) and, in some cases, additional ...