Cache software

The CAChe software packages from Oxford Molecular webpage http //www.oxmol.com/aetinfo/eduf... 

As we generally observed, only a fraction of the papers mentioning software also mentioned the vendor. Two papers of the 22 hits for CAChe software... 

Figure 6.3 Crystal structure of the mouse acetylcholinesterase-2 gallamine homodimer complex with 30% homology of 532 residues from the C-terminal cholinesterase part of human thyroglobulin (Tg). The three-dimensional structure of mouse acetylcholinesterase homodimer complex homological to part III of human Tg in Figure 6.1 was experimentally determined at a resolution of 2.20A using X-ray diffraction (Bourne et al., 2003 ExPASy access number P21836). A model of the molecule was constructed using CAChe software (Fujitsu Ltd, Japan) according to the XYZ coordinates from Protein Data Bank file (code 1 N5M.pdb).

OpenEye Scientific Software http //www.eyesopen.com/products/applications/fred.html CAChe Software http //www.cachesoftware.com/biomedcache ... 

Structures of various dioxacarbenium and oxiranium intermediates were modeled using CAChe MOPAC molecular orbital software along with a Macintosh Ilci workstation. The conformations and energies of the structures were first computationally minimized and then the heats of formation were calculated. 

II. Product Summaries The BioSciences Group of Fujitsu Computer Systems provides software to help the scientists involved in the design and computational study of compounds with applications in pharmaceutical and agricultural industries. The software programs offered include MaterialsExplorer, MOPAC 2002, and a suite of products under the CAChe name such as Quantum C AChe, BioMedCAChe, and CAChe WorkSystem, etc. 

II. Product Summaries Schrodinger provides its FirstDiscovery software suite to address and aid in the discovery process in industry. First Discovery runs under Unix and Linux and it includes several programs Glide, Jaguar, Liaison, LigPrep, MacroModel, Maestro, Mopac 2002, pKa predictor, Phase, Prime, QikPro, Qsite, and Strike. For the Microsoft Windows platform Schrodinger offers CAChe, BioMedCAChe, ChemFrontier, MaterialsExplorer, QikPro, Titan, and WinMOPAC. 

Correct folder/directory structure created and files installed within folders/directories Software configuration completed satisfactorily Site and system identification User access groups Security configuration Menu/display access configuration Logical device connections Inspection of critical hardware components Servers in correct locations Processor speed Cache size ROM bios Memory capacity Peripherals Storage devices Input devices... 

This method has been used extensively in the literature for the calculation of molecular hyperpolarizabilities. The calculations employed here utilized the MOPAC and ZINDO methods within the 4.0.1 CAChe Worksystem (Oxford Molecular) software package. MNDO-AM1 method and parameterization M. J. S. Dewar and M. L. McKee, J. Am. Chem. Soc., 1977, 99, 5231. Oscillator strengths were calculated using the ZINDO method. 

NUMA is one of the fundamental concepts needed to understand the design of a parallel software application. Every modern computer has several levels of memory, and parallel computers tend to have more levels than uniprocessors. Typical memory levels in a parallel computer include the processor registers, local cache memory, local main memory, and remote memory. If the parallel computer supports virtual memory, local and remote disk are added to this hierarchy. These levels vary in size, speed, and method of access. In this chapter, we will lump all these differences under the general term nonuniform memory access (NUMA). Note that this is a broader use of the term than is often found in computer science literature, where NUMA often refers only to differences in the speed with which given memory items can be accessed using the same method. In our use, memory access is often synonymous with data transfer. ... 

MDL Information Systems MSI companies BIOSYM Technologies Serena Software Chemical Design Ltd. Cambridge Scientific Computing Oxford Molecular Ltd. Daylight Chemical Information BioCAD Gaussian, Inc. Cache Scientific CompuDrug Wavefunction, Inc. 

Kooijman, H. A. and Taylor, R., ChemSep—Another Software System for the Simulation of Separation Processes, CACHE News, 35, 1-9 (1992). 

The semi-empirical molecular orbital calculation software MOPAC in the CAChe Work System for Windows ver. 6.01 (Fujitsu, Inc.) was used in all of calculations for optimization of geometry by the Eigenvector Following method, for search of potential energies of various geometries of intermediates by use of the program with Optimized map, for search of the reaction path from the reactants to the products via the transition state by calculation of the intrinsic reaction coordinate (IRC) [10]. 

Corina http //www2.chemie.uni-erlangen.de/software/corina/free struct.html Omicron (OpenEye) http //www.eyesopen.com/products/toolkits/omicron.html BioMedCache (Cache Fujitsu) http //www.cachesoftware.com/biomedcache/ Accelrys http //www.accelrys.com... 

The inbox concept is particularly interesting for documentation systems, like ELNs. According to paper laboratory notebook rules, a scientist is not permitted to write to another notebook besides his own. The same applies to ELN software An external system like an agent will not be able to insert data into an electronic scientific document without user interaction. The inbox plays here the role of a database cache in between an external system and the secured notebook database. The scientist can take a look at the inbox items and can decide which item he wants to insert into his document. 

P.3-19 Use Spartan. CACHE, Cerius , Gaussian, or some other chemical computational software package to calculate the heats of formation of the reactants. 

CACHE Corporation P.O. Box 7939 Austin. Texas 78713-7379 Web site wM w.po/vmarA-software, com/fogler... 

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