Convex is a free software published in the Other list of programs, part of System Utilities.This program is available in English. It was last updated on 25 February, 2022. Convex is compatible with the following operating systems: Linux.The company that develops Convex is convex.sf.net. The latest version released by its developer is 1.0. This version was rated by 1 users of our site and has an average rating of 5.0.The download we have available for Convex has a file size of . Just click the green Download button above to start the downloading process. The program is listed on our website since 2009-08-04 and was downloaded 739 times. We have already checked if the download link is safe, however for your own protection we recommend that you scan the downloaded software with your antivirus. Your antivirus may detect the Convex as malware if the download link is broken.How to install Convex on your Windows device:Click on the Download button on our website. This will start the download from the website of the developer.
Once the Convex is downloaded click on it to start the setup process (assuming you are on a desktop computer).
When the installation is finished you should be able to see and run the program.
Convx-xrd File Conversion Download VERIFIED
Listed Alphabetically AbM - ALCHEMY - CAChe - Cerius2 - Chem3D - GAMESS - Gaussian - HyperChem - Insight II - MOPAC - Nemesis - PCModel - SPARTAN - TurboNMR - Unichem - ZINDO AbM - an integrated suite of programs for antibody structure modeling. Itcombines the benefits of knowledge databases with ab initio methods, permittingyou to model the tertiary structure of an antibody starting with its primarysequence. -- Oxford Molecular Group ACD/Labs is a collection of Windows-based structure drawing and analysistools. Programs available include ACD/ChemSketch, ACD/Tautomers (check andgenerate predominant tautomeric forms), ACD/LogP, ACD/CNMR and ACD/Dictionary.-- Advanced Chemistry Development Inc. ACES II is an ab initio Molecular Orbital program which uses many-bodyperturbation theory to derive correlation energy. -- Rodney Bartlett, QuantumTheory ProjectGIAO ACM (Adiabetic Correction Method) replaces part of DFT exchange with exactexchange from HF. ADAPT (Automated Data Analysis using Pattern Recognition Toolkit) ADF (Amsterdam Density Functional) -- Bert te Velde, Vrije Universiyteit AIPHOS (Artificial Intelligence for Planning and Handling Organic Synthesis)Computer Assisted Synthesis -- K. Funatsu ALCHEMY-II is a set of IBM based programs for direct CI and MCSCF on smalland medium sized molecules. One-particle density matrices, One-electronproperties, natural orbitals, transition density matrices. -- Michael Dupuis,IBM Corporation Alchemy 2000 (3, low end Sybyl relative) is a desktop molecular modelingsystem for PC (DOS and Windows) and Macintosh computers. Provides structurebuilding, comparison, optimization, and display. Systematic & MCsearches., protein builder -- Tripos, Inc., :MM2, MM3, SybylMP3Cons:charge calculations unreproduciblesubstitutes for missing parametersFile Formats:Sybyl.molBrookhaven.pdbChemDrawHyperChemMDLSMILESSciVisionAlchemy III.molDimensions: 3500+ atomsProperties:IR spectraThermodynamicsdipole momentVdW energysteric energydistanceangleSciPolymer-polymer property QSPRSciQSAR-QSPR spreadsheet toolSciProtein-protein structure seq's & DBSciLogP-logP QSPR AMBER (Assisted Model Building using Energy Refinement). A suite of programsfor molecular mechanics and molecular dynamics simulations. Designed primarilyfor proteins and nucleic acids. AMPAC (Austin Method PACkage) Computer code that first presented the AM1method to the world. A semiempirical quantum mechanics program developed byMichael Dewar and co-workers. The program contains the MINDO/3, MNDO and AM1Hamiltonians. RHF (Restricted Hartree-Fock) and UHF (Unrestricted Hartree-Fock)methods. Extensive CI (Configuration Interactions). Options permit geometryoptimization, calculation of transition state geometries and activation energybarriers, calculation of force constants, normal mode analysis, etc. -- QCPE506 AMPAC 6 (8) with graphical user interface Z-Matrix editorsimulated annealingsymmetry group assignment CHAINPATHEFESPAMSOLCODESSA - QSPR toolFile Formats:Mopac InputGaussianHyperchemParameters:MINDO/3, MNDO, PM3, AM1SAM1MNDOCProperties:IR (Force) SpectraESRNLOHOMOLUMODistanceAnglechargesmolar volumemolar surface areaovalitydipole momentUV (CI) AMSOL AMPAC with explicit solvation effects -- Chris Cramer and Don Truhlar,The University of Minnesota & QCPESM2 Basis:AM1aqueousAtoms:HC - FP - ClBrSM5 Basis:230 solutes90 solventsAcc'y:[Delta]G(transfer)+/-0.7 kcal/mol Anaconda - an interactive molecular similarity for visualcomparison/alignment of surface properties and pharmacophore discovery. --Oxford Molecular Group Apex-3D is a rule-based QSAR program. -- BIOSYM/MSI Art of Science is a collection of EPS images prepared especially for thescientific community for import into page layout and word processing andprograms including Microsoft Word. -- SoftShell ARITVE is a program for modeling amorphous mean tridimensional structure by aRietveld-type approach (refining atomic coordinates against neutron or/andX-ray interference functions). It is a freeware. FORTRAN sources are availablefor DEC-ALPHA-AXP running VMS. -- -lemans.fr/pub/fluorlab/aritve.html ASP is a fast, automatic similarity assessment program which calculatesmolecular similarity based on spherical projection of electrostatic, steric,lipophilic or refractive properties. -- Oxford Molecular The Babel file conversion program. BioGraf was formerly available from MSI but has been discontinued as aproduct line. Bionet - an on-line timesharing system for DNA and protein sequence analysis.-- Oxford Molecular Group BIOPROP is a generalized, programmable neural network simulator forpredicting protein structures. Designed for use on mainframe andsupercomputers, however, the Fortran 77 code can be modified for use onpersonal computers. -- Office of Technology Licensing, Berkeley BOSS (Biochemical and Organic Simulation System). Monte Carlo statisticalmechanics simulations of organic molecules, complexes and reactions insolution. CACAO (Computer Aided Composition of Atomic Orbitals) is a package ofelectronic structure programs for the calculation and analysis of molecularorbitals. The package consists of an EHC program (SIMCON), an orbital analysisprogram (MOAN) and a display program for atomic orbitals (CACAO). The programsrequire at least a 286 PC with math co-processor. -- Davide M. Proserpio,Universita di Milano CAChe WorkSystem (10, user friendly general purpose modeling) suite ofmodules covering range of computational chemistry methods. -- Oxford Molecular, - Editor & CAChe Translators3-D sketchPolymerizerCrystal Builder12+ search variablesSequential searchForce Field toolsFile Formats:MDL .molTripos .molBrookhaven .pdbCCSDBChem3D (original)TribbleShelxMopac InputZINDO Input - Dynamics: performs molecular dynamics with the augmented MM2 forcefield. - ExtHuckel: Extended Hückel calculationsAtoms: Gauge Including AOs) usual AO'sare multiplied by a "gauge vector" to provide "gauge-invariant" magneticproperties.Acc'y:([sigma] in PPM w 6-311G** perturbed HF)P+/-32C+6H+6.1% GMMX is available as part of PCModel, a structure building, manipulation andminimization program. -- Serena Software GRADSCF is an ab initio quantum chemistry program which has been designed forthe Cray environment. Its major function is to provide energies and propertiesfor a variety of molecules of chemical interest. Gradscf runs under the Unicosoperating system. -- Dr. Andrew Komornicki, Polyatomics Research Institute GRID is a computational procedure for detecting energetically favorablebinding sites on molecules of known structure. It may be used to study arraysof molecules in membranes and crystals or macromolecules such as proteins. Theenergies are calculated as the electrostatic, hydrogen-bond and Lennard Jonesinteractions of a specific probe group with the target structure. GRID candistinguish between selective binding sites for different probes. Input forGRIN is prepared and checked by GRID. Display of results is through outputfiles produced by GRID. The programs are written in Fortran 77 and run on allcomputer systems. -- Peter Goodford, Molecular Discovery Ltd. GROMOS (GROningen MOlecular Simulation package) is a molecular mechanics anddynamics program developed by W. F. van Gunsteren and co-workers at TheUniversity of Groningen. -- Biomos B. V., University of Groningen Molecular & Stochastic DynamicsPerturbation ThermodynamicsGROMOS FF Basis:proteinsnucleotidessugars GroupServer - a suite of computational tools for molecular modeling,networked to the CAChe WorkSystem. -- Oxford Molecular Group GULP (General Utility Lattice Program) general lattice simulation withperiodic boundary conditions and Ewald sums for electrostatics. Calculatesproperties, or inverse operation to fit potentials to structure, properties, QMpotential surfaces. Minimize energy with P, V and optical constraints. Locatephase transition states. (Phase diagrams, charge defect correction.) -- JulianGale, Imperial CollegeProperties:Crystal lattice energyEntropyFree EnergyHeat capacityElastic constantsDielectric constantsPhonon frequenciesIR activitiesElectric field gradients GVB (Generalized Valence Bond) - Bill Goddards "laid back southernCalifornia wavefunctions." Equivalent to MCSCF correlation treatment: 2configurations used to represent each e- pair and solved for 2 associatedorthogonal functions. Hingefind is a new algorithm to determine and visualize protein domainmovements by comparing two structures. HINT (Hydrophobic INTeractions) a program for calculating and visualizinghydrophobic and hydrophobic interactions of biomolecular specie. -- eduSoft. HMO-Plus1.5Atoms:B - FSi - Cl Properties:Secular DeterminantEigenvaluesTotal energydelocalization energyPolarographic half-wave reduction potentialEigenvectorsCharge densities[pi]-dipole momentBond lengthsElectron density - bond order matrixAtom-atom polarizabilitiesSuperdelocalizabilities - Electrophilic - Radical - NucleophilicFree valences HONDO7 is a semiempirical molecular orbital program with single configurationSCF (closed shell RHF, spin restricted UHF, restricted open shell ROHF),generalized valance bond (GVB) and general multiconfiguration SCF MCSCFwavefunctions as well as configuration interaction (CI) wavefunctions. Writtenby Dupuis, Watts, Villar and Hurst. -- QCPE 544 HyperChem 4.5 (3, general modeling system with potential) is a building,optimization, manipulation and display program for PC and SGI. -- HyperCubeInc. Originally code for parallel computing serialized to PC product.solvent boxMDab initio SCFMP2File Formats:MDL .molTripos .molBrookhaven .pdbMopac InputCCSDBDimensions:20,000+ atomsParameters:MM2AmberBIO+OPPLS Basis:liquidssolutionsab initio calc'ns on 100 organicsEHTMNDO (w/o Cr, Zn, Br, Sn, Hg, Pb?)MINDO/3AM1 (w/o Hg?)PM3 (w/o Hg, Tl, Pb, Bi?)CNDOINDO/1 (w/o As, Br, I?)INDO/SProperties:Dipole momentIPIR (Force)UV (CI) - Chem PlusCrystal builderrenderingsMC searchbiomoleculeslogPscripts - HyperChem Lite - HyperNMRSCF-MOmagnetic shielding (shifts)nuclear coupling ICON8 and FORTICON8 provide Extended Hückel calculations for moleculescontaining 50 (or fewer) atoms which contain S, S and P and S,P and Delectrons. Written by Howell, Rossi, Wallace, Haraki and Hoffmann. -- QCPE 344 Iditis - This package provides instant access to protein motifs,substructures and interactions buried in the Brookhaven databank, 500descriptors. -- Oxford Molecular Group corrected PDB database500 descriptors Iditis Architect - suite of programs that lets you create protein structuredata for inclusion in the Iditis database. -- Oxford Molecular Group IG Suite - these tools allow you to do DNA and protein sequence analysisusing Sun and VAX workstations. -- Oxford Molecular Group IMSL Libraries IMSL supplies two libraries of subroutines for graphics,Mathematics and Statistics. IMSL/IDL is an array oriented interactive commandlanguage complete with graphics and a robust set of mathematical, statistical,image processing and signal processing functions which allow visual explorationof numerical data. Exponent Graphics is a library of graphical subroutines thatalleviates the task of coding low-level graphics primitives. The IMSL Librariesis an extensive set of 900 Fortran subroutines for applications in generalapplied mathematics, special functions and for analyzing and presentingstatistical data. Libraries are also available for C programming needs. All ofthe IMSL software runs on a wide variety of platforms. -- IMSL, Inc. Insight II (6, specialized modeling on workstations) is a 3D graphicalenvironment for the creation, modification, manipulation, display and analysisof molecular systems and related data. User interface integrates array ofbuilder modules, development tools, force fields, simulation and visualizationtools with tools specifically developed for applications in the life andmaterials sciences. -- BIOSYM/MSI, spreadsheet"Open Interface" - Affinity: automated docking of ligands to receptors in thestructure-based drug design process. Calculations include an implicit solvationterm, and the component effects of this term, and of other energeticpartitions, can be viewed graphically. - Amorphous Cell: constructs and analyzes models of bulk amorphoussystems such as polymers and glasses. Investigate properties such as cohesiveenergy, chain dimensions, chain packing, and local dynamical behavior.atomisticglassy or meltIRcohesive energy densityself diffusionelasticitycorrelation functionsolubility parameter - Apex-3D: identifies pharmacophores and active conformations from aset of biologically active and inactive compounds to predict the activity ofnew compounds. - Biopolymer: constructs models of peptides, proteins, carbohydrates,and nucleic acids for visualizing complex macromolecular structures and for usein further simulation work. - CFF95: advanced Class II force field used to optimize DNA, RNA,carbohydrates, lipids, proteins, peptides, and small-molecule models, giving ahigh confidence level for calculations in drug discovery, protein design,genomic theraputics, NMR spectroscopy, and X-ray crystallography. - Characterize: simulates, displays, and interprets a wide variety ofanalytical data: HRTEM, NMR, diffraction, IR Raman, EXAFS, and Morphologydata.XRD, ND, ED29Si NMREXAFSCrystal morphologyIR, RamanPore characterization- Consensus: builds a 3D model of a protein from its amino acidsequence and the known structures of related proteins using distanceconstraints derived from the reference protein structures. - Converter: builds 3D models from 2D structural database output. - Crystal Cell: study and characterize crystal structure, stability,and mechanical properties. minimize packing energy w/ MMvibrational dispersion curveentropyheat capacitymechanical properties - DBAccess: uses a hypothesis that may include binding features,structural and property constraints, as a search query against databasescontaining hundreds of thousands of molecules to select molecules for trial orto the guide synthesis of new compounds. Includes the Maybridge catalog andthe NCI database. - DeCipher: powerful and flexible program for high-level analysis ofmolecular structure and the results of molecular dynamics simulations. - DelPhi: calculates electrostatic potentials and solvation energiesof both large and small molecules, including nucleic acids. Examine theeffects of charge distribution, ionic strength, and dielectric constant on theelectrostatic potentials of macromolecules. - Discover: simulation program available within Insight II. Itincorporates a range of well validated forcefields for dynamics simulations,minimization, and conformational searches to predict the structure, energeticsand properties of organic, inorganic, organometallic, and biological systems.Implements IPC (Inter Process Communications), which allows users to instructDiscover to turn processing control over to external programs, and retrieve theresults of those external processes, incorporating them into the continuingDiscover computations. - DMol: quantum mechanics module for fast, reliable, quantitativepredictions of molecular structure, energetics and properties for ground andtransition states. Employs advanced density functional theory. COSMO is acontinuum dielectric solvation model implemented in DMol to accurately computethe structure and properties of molecules in a solvent environment usingquantum mechanics.- DSolid: provides accurate simulation of molecules, molecular crystals,and surfaces. An adaptation of the DMol program to compute structural andvibrational properties as well as electron densities and molecular orbitals forperiodic solids. - ESOCS: (Electronic Structure Of Closed-packed Solids) calculatesthe electronic and magnetic properties of solids, including electronicstructure of defects, optical absorption and reflection spectra, and magneticproperties of materials. Applicable to metals and alloys, the pigmentindustry, and for optimizating and designing magnetic materials.all purposeperiodic electronic structure - Fast Structure: determines equilibrium geometries of crystals,interfaces, surfaces and molecules using fast first-principles densityfunctional methods in conjunction with molecular dynamics, simulated annealingand minimization techniques. Used in the electronics, chemicals,petrochemicals, and glass industries. - Flexiblend: estimates polymer miscibility. Approximate but fast toscreen polymer blend candidates.miscibility w/ specific interactions - Homology: builds a 3D model of a protein from its amino acidsequence and the known structure of related proteins. Standard techniques ofbackbone building, loop modeling, structural overlay and statistical analysisof the resulting models. - Insight II: creates, modifies, manipulates, displays, and analyzesmolecular systems and related data and provides the corerequirements for all Insight II software modules. - Interphases: calculates the conformational properties of polymers inthe vicinity of an interface. graph theory modelmonolayers & bilayers - Ludi: tool for de novo+rational drug design. Fits molecules intothe active site of a receptor by identifying and matching complementary polarand hydrophobic groups. - Ludi/ACD: links the design tools of Ludi to MDL's AvailableChemicals Directory with access to over 65,000 commercially availablestructures to search for drug candidates. - MADSYS: provides phasing of multi-wavelength anomalous dispersion(MAD) data collected at synchrotron radiation X-ray sources. - Miscibility: navigational aid for predicting liquid-liquid phasediagrams of polymer solutions or blends by unifying MSI*s tools for phasediagram prediction and leading through appropriate simulation strategies. - Modeler: automatically generates a refined homology model of aprotein, given only the sequence alignment to a known 3D protein structure.Excellent structural models given as little as 30% homology to knownstructures. - Networks: simulates cross-linking or cure reactions to understandproperties of gels, elastomers, adhesives, and coatings. statistical & kinetic modelselasticitygel point - NMR Refine/Advanced: expands the refinement capabilities found inNMR Refine/DG-II to include simulated annealing and restrained molecularmechanics and dynamics (MD Schedule), refinement of NOE intensities usinghybrid-matrix approaches (IRMA), direct refinement of NOE volumes (NOE-MD), aninterface to back-calculating 2D NOESY crosspeak intensities (NOE Simulate),and a spreadsheet method of analyzing NMR-related structural and dynamicalmolecular parameters (Query). - NMR Refine/DG-II: entry-level option into NMR refinement softwarewith capabilities for generating structures from NMR-derived distance anddihedral restraints. Restraint Analysis, NMR Database and ProStat pulldowntools for generating, analyzing and verifying high resolution structures. - Phase Diagram: calculates liquid-liquid phase diagrams for polymersolutions and blends, to optimize the properties of formulations.binary & ternarycalculate from Chifit Chi to experiment - Pilot: solution oriented self-help tool for Insight II. Interactivetraining sessions for practical modeling of solutions. - Plane Wave: quantum mechanics module for the materials sciences tosimulate solids, interfaces, and surfaces for a wide range of materials classesincluding ceramics and semiconductors, determining properties such as geometricstructure, energies, band-structures, and charge density.full periodic tablepseudopotentials - Polymerizer: builds 3D models of linear and branched homopolymersand copolymers,u to visualize and simulate polymer structure and behavior. - PolyNMR: helps you to interpret NMR spectra for homo- andcopolymers. C-13 from RIS w/ tables - PRISM: predicts polymer blend miscibility and related propertiesbased on the chemical composition of the chains in the blend.omega functionsphase equilibria - Profiles-3D: "environmental classification" of protein residuestoassess whether a primary sequence is compatible with the current 3D structuralmodel. Searches a structural-motif database with a new sequence, looking forcompatibility; a sequence database with an example stucture, seekingsimilarity; or verifies the agreement between the sequence and current model ofa protein sequence/structure under study. - QSPR: estimates the properties of a wide range of thermoplasticmaterials using group additivity methods.SynthiaVan Krevelan - QuanteMM: combines quantum mechanical and force field methods, touse accurate first-principles methods to study cluster models while taking thesurrounding environment fully into account to study large and complexsystems. QM embedded in MM- Reaction Patterns: visualizes, interprets and analyzes chemicalreactivity and reactions. It combines kinetic models and the analysis ofquantum mechanical energy surfaces to give insight into fundamental chemicalprocesses.chemical kineticsvibrations - RIS: (Rotational Isomeric States) calculates the conformationalproperties of polymer chains, which to relate these to their chemicalstructure. statistical properties of single chain - Search/Compare: generates and compares the conformers of differentmolecules. - Sketcher: draws molecules in 2D and automatically convert them to 3Dmodels. - Solids Adjustment: edits crystal or cluster structures, to explorenew or derivative materials.symmetry display & modificationsfind cell- Solids Builder: constructs models of inorganic and organic crystals,metals, layers, and interfaces, to develop and validate models of solids andsurfaces. crystal, metal, glasssolid, surface, sheetmodify space group- Solids Docking and Sorption: probes the interactions of singlemolecules or groups of molecules with a host matrix, to model adsorptionmechanisms and predict key thermodynamic data for gas adsorption in zeolites orpolymer membranes.Monte Carlo dockingheat of sorptionpreferred bindingdiffusion strategy - Solids Simulation: performs optimizations of bulk and surfacestructures and crystal dynamics, to investigate the structure and behavior ofionic solids.METAPOCSFUNGUSminimization w/ symmetrydynamics w/ symmetry - Structure Image: simulates electron diffraction patterns forinterpreting EM data from crystals, interfaces, and defect structures.lattice imagesHRTEM - Structure Refine: uses powder or single crystal diffraction data andthe Rietveld method to determine and refine crystal structures.Visual interface to GSAS - Structure Solve: provides a range of novel computational techniquesfor predicting the crystal structures of molecular crystals, zeolites, andmetal oxides. generic ionic modelsfit xtal structures to experiment - Synthia: estimates polymer properties using statistically-derivedcorrelations to predict properties quickly from existing data for a broaderrange of polymers than a strictly interpolative QSPR. - Turbomole: calculates molecular structure, energetics, andtransition states. It predicts properties including electrostatic potentials,ESP charges, molecular moments, polarizabilities, IR spectra, and NMR chemicalshifts. Computations use traditional Hartree-Fock and MP2 quantum mechanicsmethods as well as density functional theory. TurboNMR is a component ofTurbomole which uses ab initio quantum mechanical methods to predict NMRchemical shifts, to interpret solid-state NMR and magnetic relaxationexperiments. - Viscoelasticity: estimates the dynamic mechanical response of dilutepolymer solutions, to relate these to polymer structure and chemistry.dilute solutions - X-PLOR/Refine: an X-ray structure determination program thatintegrates crystallographic diffraction data with molecular mechanics, dynamicsand energy minimization for the solution of three-dimensional structures. - Xsight: integrates all of the major computational techniques formacromolecular crystallography: analyze and interpret X-ray data, build modelsof protein structures and relate them to electron density, refine structureagainst X-ray data, analyze structures for symmetry, and visualize and validatestructure. - ZINDO: semi-empirical molecular-orbital program for studying thespectroscopic properties of molecules and complexes. Applicable to a wide rangeof compounds, including organic and inorganic molecules, polymers, andorganometallic complexes. INTERCHEM is a molecular modeling system designed for use on Silicon Graphicsworkstations. It includes facilities for handling and display of smallmolecules and large biomolecules. Building new structures is made easy by alibrary of 380 pre-optimized (MOPAC) fragments. It incorporates a molecularmechanics program PIFF (written by Armin Widmer, Sandoz A.G.), which providesrapid optimization of structures. Structure files may be read into the programin SYBYL, BIOSYM, Cambridge Crystallographic Database XR and native INTERCHEMformats. The Proteins Package provides selective editing, display andhighlighting of special features, investigation of homology, prediction ofprotein secondary structure, prediction of important sites, etc. The CrystalStructure package allows reading of files in Cambridge XR format, display ofunit cells, the replication of the asymmetric unit necessary to fill a 3X3X3nest of unit cells. -- Peter Bladon, The University of Strathclyde ISIS Draw is available for downloading to your Mac or PC. KGNMOL provides ab initio electronic structure calculations for largemolecules. Single configuration SCF (RHF and ROHF). Second orderMoeller-Plesset correction. Density functional and sum of pair correlationmethods for correlation energy estimation. Program runs on IBM 3090 computersystems. Distributed as a part of MOTECC. -- Michael Dupuis, IBM Corporation Latticepatch is an interactive graphics program used by crystallographers toevaluate data collection strategies for area detector X-ray diffractionstudies. Using Latticepatch, a crystallographer can visualize how rotation ofthe crystal will spread reflected X-radiation across the surface of an areadetector. Using the crystal's symmetry characteristics, its orientation in thelab frame and the crystal-to- detector distance, Latticepatch helps thecrystallographer to collect the unique data most efficiently. The program runson Silicon Graphics 4D series workstations. -- Alexandra Klinger, HealthSciences Center, Charlottesville LHASA (Logic and Heuristics Applied to Synthetic Analysis) is a backwardchaining synthesis planning program which uses a database of specially codedchemical reactions and definitions for strategic bonds to analyze potentialsynthetic pathways for a molecule. The target molecule is analyzed according tothe number of rules and likely synthetic pathways are produced for examination.-- Alan Long, Harvard University LiqCryst a database of Liquid Crystalline Compounds for Personal Computers Ludi provides a tool which can quickly generate a series of potential bindingcompounds for a given ligand binding site on a protein. The knowledge-basedsystem chooses fragments from a library based on their ability to bind toportions of the binding site through hydrogen bonding and lipophilicinteractions. -- BIOSYM/MSI MACCS (Molecular ACCess System)is a chemical information management systemwhich runs on a variety of computers. -- MDL Information Systems MACCS-3D a 3D searching system for structures stored in a fixed conformation.-- MDL Information Systems MacMimic -- InStar Software AB 2ff7e9595c
Comments