Search Results for "hydrogen"

Modified version of AutoGrow, autogrow.ucsd.edu/ , with a mutation script added in the class files, and a global change of the defined mutation point from Hydrogen atoms to Calphas, to allow placement of Amino Acids. Deposited are 3 versions, used for my PhD Thesis. These allow for mutation of short 2-15 amino acid peptides, and associated screening of these using AutoDock or AutoDock Vina, allowing for 8 CPU systems to screen 10K peptides a day or 1-2K with flexible residues added in. A detailed method for determining the peptide ligand for any sequenced and modeled T cell receptor will be published and link added at some point. ...

The purpose of this program is to plot the waveforms of the hydrogen wave function. The program has 4 option's. First, plotting the radial function, second, plotting the radial probability, third, 2d wave function,last, 3d wave function.

A collection of applets used to demonstrate physics and math principles. The applets include: a ray diagram drawing applet, a collision of disks applet, an electromagnetic field mapper and a 3d hydrogen orbital simulation.

PCP-net is a browser-based application to calculate preheating temperature, heat input and carbon equivalent, which can be used to avoid hydrogen cracking (cold cracking) in unalloyed and low-alloyed ferritic steels.

MolStart is a molecular structure viewer and editor in Java. MolStart reads xyz, PDB, tinker, car and Gaussian input files. MolStart also includes force field parameters for protein and DNA atomic typing to add Hydrogen atoms.

TigerBeats' project goal is to create a drum machine for the Android platform that is file compatible with the excellent Hydrogen application while fully embracing the look, feel, and limitations of the platform.