Search Results for "building"

Small-angle X-ray scattering (SAXS) in solution is a common low-resolution method which can efficiently complement high-resolution information obtained by crystallography or NMR. Sample monodispersity is key to reliable SAXS data interpretation and model building. Beamline setups with inline high-performance liquid chromatography (HPLC) are particularly useful for accurate profiling of heterogeneous samples. The program DATASW performs averaging of individual data frames from HPLC-SAXS experiment using a sliding window of a user-specified size, calculates overall parameters (I(0), Rg, Dmax and MW) and predicts the folding state (folded/unfolded) of the sample. ...

...There is infinite freedom in customizing the potentials: draw out absurd terrains, or opt for standard experiments such as double-slit. The project's purpose is to aid the user in building intuition for the peculiar workings of the quantum realm. As such, it aims to be user-friendly and does not require prior knowledge of QM. Currently only available for macOS and Windows users (Linux version will be uploaded in the future). Created with Qt and OpenGL.

is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html

jQuantum is a Java program to simulate a quantum computer, to design quantum circuits, and to visualize the execution of quantum algorithms. Another main purpose, however, is to create images in your head, and thereby - understanding.

Rigid-body simulation software. Provides basic features for building multi-body systems and calculate its motion, forces and impulses.

A family of programs for building coarse-grained models (eg. of macromolecules), manipulating them (geometrical transformations and more) and calculating their X-ray scattering patterns (1D and 2D too). Uses PVM for parallelization.