Search Results for "program files"

MCE is an crystallographic experimental program for 3D and 2D electron density map visualization. The software is mainly focused on visualization of ELD calculated from X-ray diffraction data of small molecules, but it will work for small proteins as well. Download the installation file (default download) or find in "Files" the zip-file with instant copy of the program which does not require the installation.

PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided.

The OFR method is a type of steered molecular dynamics method for determining potentials of mean force (PMF) (Phys. Rev. E, 2011, 83: 021114) and local diffusion coefficients, D(z) (Phys. Rev. E, 2012, 86: 036707). OFR-AT is a fast and convenient program for analyzing large output data files from the OFR method, and returns the information necessary to quickly and easily calculate the PMF and D(z) in a spreadsheet. The software is described in detail in the following article: J. Comp. Phys., 231(11): 4355-4364.

This was my first big programming project. I'd like to clean it up and improve the back end design when time permits. See the wiki for known issues and more information. A computer vision program for analysis of magnetic data collected by a scanning probe microscope. Originated in summer 2007 as a collection of C compiled for Matlab (MEX) files and was eventually ported to a standalone C++ application with a GUI created in Qt. This program takes atomic and magnetic force microscope (AFM/MFM) image pairs as input and uses threshold segmentation to identify magnetic nanodots by intensity in the AFM image. ...

ANUGA viewer is a graphical 3D rendering program suitable for animating the sww output files from the Finite Volume hydrodynamic modelling package ANUGA.