article may not meet wikipedia s notability guidelines for companies and organizations . please help to establish notability by citing reliable secondary sources that are independent of the topic and provide significant coverage of it beyond its mere trivial mention . if notability can not be established the article is likely to be merged redirected or deleted . find sources openeye scientific software news newspapers books scholar jstor free images august 2013 learn how and when to remove this template message openeye scientific software type privately held employee owned c corporation industry computer software research and development biotechnology cheminformatics founded 1997 headquarters santa fe new mexico united states number of employees 20 50 website www.eyesopen.com openeye scientific software is an american software company which develops large scale molecular modelling applications and toolkits . contents 1 scope 2 application software 3 toolkits 4 see also 5 references 6 external links scope edit primarily geared towards drug discovery and design areas of application include structure generation docking shape comparison charge electrostatics cheminformatics and visualization . the software is designed for scientific rigor as well as speed scalability and platform independence . openeye makes much of its technology available as toolkits suitable for custom development . the toolkits are available in multiple languages c python java and c . application software edit afitt crystallographic refinement and analysis . brood bioisostere identification using shape chemistry and electrostatic similarity . eon chemical similarity analysis via comparison of electrostatics overlay . fastrocs real time 3d molecular shape searches using gpu technology . filter molecular screening and selection based on physical property or functional group . oedocking a suite of molecular docking tools including fred fast docking hybrid ligand guided docking and posit ligand guided pose prediction . omega systematic high throughput conformer generation including 1d or 2d to 3d structure generation . pka prospector a database of high quality pka measurements . quacpac quality charge states and charges for small molecules and proteins . rocs chemical similarity analysis via rapid 3d molecular shape searches . szmap identify water sites in the binding site . szybki fast structure optimization of ligands in gas phase solution or within a protein active site . vida graphical user interface that visualizes analyzes and manages corporate collections of molecular structures and information . vivant live molecular visualization inside of powerpoint and web browsers . toolkits edit programming libraries providing other applications with object oriented accessibility to a given set of capabilities . oechem tk cheminformatics and 3d molecular data handling . oedepict tk elegant 2d structure rendering of compounds . oedocking tk docking and scoring . grapheme tk advanced structure rendering of compounds . graphsim tk 2d molecular fingerprints and similarity calculations . lexichem tk state of the art compound name and structure interconversion with support for multiple languages . molprop tk 2d molecular property calculation and filtering . quacpac tk tautomer generation . omega tk conformer generation . shape tk molecular shape comparisons based on 3d overlays . spicoli tk rapid molecular surface generation and manipulation . szmap tk water interactions in the binding site . szykbi tk generalized function optimization e.g. molecular structure optimization . zap tk an efficient poisson boltzmann electrostatics solver . see also edit anthony nicholls computational chemistry other institutions developing software for computational chemistry accelrys cambridgesoft chemical computing group dotmatics inte ligand schr dinger references edit this article includes a list of references related reading or external links but its sources remain unclear because it lacks inline citations . please help to improve this article by introducing more precise citations . january 2015 learn how and when to remove this template message downloads and upgrades afitt 2.3 genbank 197.0 and the protein databank . bioinform . genomeweb llc . august 16 2013 . retrieved august 28 2013 . company overview of openeye scientific software inc. . bloomberg businessweek . bloomberg l.p. retrieved august 28 2013 . yang jeremy j. fall 2011 . cheminformatics software development case studies pdf . indiana university school of informatics and computing . retrieved august 28 2013 . external links edit official website retrieved from https en.wikipedia.org w index.php title openeye scientific software & oldid 734540829 categories biotechnology companies of the united statescompanies based in santa fe new mexicoemployee owned companies of the united statesprivately held companies based in new mexicosoftware companies based in new mexicosoftware companies established in 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