Maltcms – Modular Application Toolkit for Chromatography Mass-Spectrometry is a JAVA API for preprocessing, alignment, analysis and visualization of data stored in open file formats used in Proteomics and Metabolomics research. Network slow, but you don’t know the cause? Use Bandwidth Analyzer Pack (BAP) to monitor and analyze network bandwidth performance and traffic patterns. With […]
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also […]
The program Orthos is developed to performed simulation (including nonlinear least-squares fitting) of EPR spectra of nitroxide biradicals. The program capabilities include simulation of rigid-limit and slow-motional spectra, of both isotropic and aligned samples. The spectra of multiple paramagnetic species, both bi- and monoradicals can be modeled. NB: Please note that now (as of Nov […]
An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP). Cloudbased voice solutions are common in enterprise networks and frustrating for operations teams to manage. Simplify VoIP monitoring by having a proactive analysis of on-prem, hybrid and UCaaS voice services. Try the ThousandEyes VoIP monitoring solution today, free.
BINANA (BINding ANAlyzer) is a python-implemented algorithm for analyzing ligand binding. The program identifies key binding characteristics like hydrogen bonds, salt bridges, and pi interactions. As input, BINANA accepts receptor and ligand files in the PDBQT format. PDBQT files can be generated from the more common PDB file format using the free converter provided with […]
NNScore is a scoring function for characterizing the potency of receptor-ligand complexes. It is based on neural networks, computational models that simulate the microscopic organization of the brain. Today’s small-to-medium-sized (SMB) businesses and large enterprises are saving on their monthly communications costs by making one simple decision: to switch to a VoIP service solution from […]
Spglib is a C-library written for finding crystal symmetry. Symmetry operation, space group, etc, can be obtained using this symmetry finder. It is easy to include this library to your code. For more information, See, http://spglib.sourceforge.net/ The SourceForge Speed Test measures Latency/Ping, Jitter, Download Speed, Upload Speed, Buffer Bloat, and Packet Loss. Upon completion, you […]
As ever larger and more complex biological systems are modeled in silico, approximating physiological lipid bilayers with simple planar models becomes increasingly unrealistic. When building large-scale models of whole subcellular environments, models of lipid membranes with carefully considered, biologically relevant curvature are essential. LipidWrapper, written by Jacob Durrant in the lab of Rommie E. Amaro, […]
DockoMatic is a GUI application that is intended to ease and automate the creation and management of AutoDock jobs for high throughput screening of ligand/receptor interactions. The SourceForge Speed Test measures Latency/Ping, Jitter, Download Speed, Upload Speed, Buffer Bloat, and Packet Loss. Upon completion, you can view detailed reports about your connection. This HTML5 speed […]
ThermV thermal analysis software package aims to provide the most sophisticated automatic analysis of thermal analysis data (TG/DTG, DTA and DSC). It offers new algorithm for concurrent peak deconvolution at different heating rates and provides full kinetic analysis of these data, including isoconversional methods for Ea, determination of reaction model and full kinetic triplet, Avrami […]