├── .Rbuildignore ├── .gitignore ├── DESCRIPTION ├── NAMESPACE ├── News.md ├── R ├── chemdoodle_json_utilities.R ├── chemdoodle_sketcher.R ├── chemdoodle_sketcher_gadgets.R ├── chemdoodle_slideshow.R ├── chemdoodle_transform.R ├── chemdoodle_viewer.R └── molecule_utils.R ├── README.Rmd ├── README.md ├── chemdoodle.Rproj ├── docs ├── authors.html ├── index.html ├── index_files │ ├── chemdoodle_slideshow-binding-0.2.3 │ │ └── chemdoodle_slideshow.js │ ├── chemdoodle_slideshow-binding-0.3.0 │ │ └── chemdoodle_slideshow.js │ ├── chemdoodle_transform-binding-0.2.3 │ │ └── chemdoodle_transform.js │ ├── chemdoodle_transform-binding-0.3.0 │ │ └── chemdoodle_transform.js │ ├── chemdoodle_viewer-binding-0.2.3 │ │ └── chemdoodle_viewer.js │ ├── chemdoodle_viewer-binding-0.3.0 │ │ └── chemdoodle_viewer.js │ ├── chemdoodleweb-7.0.1 │ │ ├── chemdoodle7 │ │ │ ├── css │ │ │ │ ├── ChemDoodleWeb.css │ │ │ │ └── jquery-ui-1.10.3.custom.css │ │ │ ├── images │ │ │ │ ├── animated-overlay.gif │ │ │ │ ├── ui-bg_flat_0_aaaaaa_40x100.png │ │ │ │ ├── ui-bg_flat_0_eeeeee_40x100.png │ │ │ │ ├── ui-bg_flat_55_c0402a_40x100.png │ │ │ │ ├── ui-bg_flat_55_eeeeee_40x100.png │ │ │ │ ├── ui-bg_glass_100_f8f8f8_1x400.png │ │ │ │ ├── ui-bg_glass_35_dddddd_1x400.png │ │ │ │ ├── ui-bg_glass_60_eeeeee_1x400.png │ │ │ │ ├── ui-bg_inset-hard_75_999999_1x100.png │ │ │ │ ├── ui-bg_inset-soft_50_c9c9c9_1x100.png │ │ │ │ ├── ui-icons_3383bb_256x240.png │ │ │ │ ├── ui-icons_454545_256x240.png │ │ │ │ ├── ui-icons_70b2e1_256x240.png │ │ │ │ ├── ui-icons_999999_256x240.png │ │ │ │ └── ui-icons_fbc856_256x240.png │ │ │ ├── js │ │ │ │ ├── ChemDoodleWeb-uis.js │ │ │ │ └── ChemDoodleWeb.js │ │ │ └── uis │ │ │ │ ├── ChemDoodleWeb-uis.js │ │ │ │ ├── images │ │ │ │ ├── animated-overlay.gif │ │ │ │ ├── ui-bg_flat_0_aaaaaa_40x100.png │ │ │ │ ├── ui-bg_flat_0_eeeeee_40x100.png │ │ │ │ ├── ui-bg_flat_55_c0402a_40x100.png │ │ │ │ ├── ui-bg_flat_55_eeeeee_40x100.png │ │ │ │ ├── ui-bg_glass_100_f8f8f8_1x400.png │ │ │ │ ├── ui-bg_glass_35_dddddd_1x400.png │ │ │ │ ├── ui-bg_glass_60_eeeeee_1x400.png │ │ │ │ ├── ui-bg_inset-hard_75_999999_1x100.png │ │ │ │ ├── ui-bg_inset-soft_50_c9c9c9_1x100.png │ │ │ │ ├── ui-icons_3383bb_256x240.png │ │ │ │ ├── ui-icons_454545_256x240.png │ │ │ │ ├── ui-icons_70b2e1_256x240.png │ │ │ │ ├── ui-icons_999999_256x240.png │ │ │ │ └── ui-icons_fbc856_256x240.png │ │ │ │ └── jquery-ui-1.10.3.custom.css │ │ ├── css │ │ │ ├── ChemDoodleWeb.css │ │ │ └── jquery-ui-1.11.4.css │ │ ├── images │ │ │ ├── animated-overlay.gif │ │ │ ├── ui-bg_flat_0_aaaaaa_40x100.png │ │ │ ├── ui-bg_flat_0_eeeeee_40x100.png │ │ │ ├── ui-bg_flat_55_c0402a_40x100.png │ │ │ ├── ui-bg_flat_55_eeeeee_40x100.png │ │ │ ├── ui-bg_glass_100_f8f8f8_1x400.png │ │ │ ├── ui-bg_glass_35_dddddd_1x400.png │ │ │ ├── ui-bg_glass_60_eeeeee_1x400.png │ │ │ ├── ui-bg_inset-hard_75_999999_1x100.png │ │ │ ├── ui-bg_inset-soft_50_c9c9c9_1x100.png │ │ │ ├── ui-icons_3383bb_256x240.png │ │ │ ├── ui-icons_454545_256x240.png │ │ │ ├── ui-icons_70b2e1_256x240.png │ │ │ ├── ui-icons_999999_256x240.png │ │ │ └── ui-icons_fbc856_256x240.png │ │ └── js │ │ │ ├── ChemDoodleWeb-uis.js │ │ │ └── ChemDoodleWeb.js │ ├── chemdoodlewebui-7.0.1 │ │ ├── chemdoodle7 │ │ │ ├── css │ │ │ │ ├── ChemDoodleWeb.css │ │ │ │ └── jquery-ui-1.10.3.custom.css │ │ │ ├── images │ │ │ │ ├── animated-overlay.gif │ │ │ │ ├── ui-bg_flat_0_aaaaaa_40x100.png │ │ │ │ ├── ui-bg_flat_0_eeeeee_40x100.png │ │ │ │ ├── ui-bg_flat_55_c0402a_40x100.png │ │ │ │ ├── ui-bg_flat_55_eeeeee_40x100.png │ │ │ │ ├── ui-bg_glass_100_f8f8f8_1x400.png │ │ │ │ ├── ui-bg_glass_35_dddddd_1x400.png │ │ │ │ ├── ui-bg_glass_60_eeeeee_1x400.png │ │ │ │ ├── ui-bg_inset-hard_75_999999_1x100.png │ │ │ │ ├── ui-bg_inset-soft_50_c9c9c9_1x100.png │ │ │ │ ├── ui-icons_3383bb_256x240.png │ │ │ │ ├── ui-icons_454545_256x240.png │ │ │ │ ├── ui-icons_70b2e1_256x240.png │ │ │ │ ├── ui-icons_999999_256x240.png │ │ │ │ └── ui-icons_fbc856_256x240.png │ │ │ ├── js │ │ │ │ ├── ChemDoodleWeb-uis.js │ │ │ │ └── ChemDoodleWeb.js │ │ │ └── uis │ │ │ │ ├── ChemDoodleWeb-uis.js │ │ │ │ ├── images │ │ │ │ ├── animated-overlay.gif │ │ │ │ ├── ui-bg_flat_0_aaaaaa_40x100.png │ │ │ │ ├── ui-bg_flat_0_eeeeee_40x100.png │ │ │ │ ├── ui-bg_flat_55_c0402a_40x100.png │ │ │ │ ├── ui-bg_flat_55_eeeeee_40x100.png │ │ │ │ ├── ui-bg_glass_100_f8f8f8_1x400.png │ │ │ │ ├── ui-bg_glass_35_dddddd_1x400.png │ │ │ │ ├── ui-bg_glass_60_eeeeee_1x400.png │ │ │ │ ├── ui-bg_inset-hard_75_999999_1x100.png │ │ │ │ ├── ui-bg_inset-soft_50_c9c9c9_1x100.png │ │ │ │ ├── ui-icons_3383bb_256x240.png │ │ │ │ ├── ui-icons_454545_256x240.png │ │ │ │ ├── ui-icons_70b2e1_256x240.png │ │ │ │ ├── ui-icons_999999_256x240.png │ │ │ │ └── ui-icons_fbc856_256x240.png │ │ │ │ └── jquery-ui-1.10.3.custom.css │ │ ├── css │ │ │ ├── ChemDoodleWeb.css │ │ │ └── jquery-ui-1.11.4.css │ │ ├── images │ │ │ ├── animated-overlay.gif │ │ │ ├── ui-bg_flat_0_aaaaaa_40x100.png │ │ │ ├── ui-bg_flat_0_eeeeee_40x100.png │ │ │ ├── ui-bg_flat_55_c0402a_40x100.png │ │ │ ├── ui-bg_flat_55_eeeeee_40x100.png │ │ │ ├── ui-bg_glass_100_f8f8f8_1x400.png │ │ │ ├── ui-bg_glass_35_dddddd_1x400.png │ │ │ ├── ui-bg_glass_60_eeeeee_1x400.png │ │ │ ├── ui-bg_inset-hard_75_999999_1x100.png │ │ │ ├── ui-bg_inset-soft_50_c9c9c9_1x100.png │ │ │ ├── ui-icons_3383bb_256x240.png │ │ │ ├── ui-icons_454545_256x240.png │ │ │ ├── ui-icons_70b2e1_256x240.png │ │ │ ├── ui-icons_999999_256x240.png │ │ │ └── ui-icons_fbc856_256x240.png │ │ └── js │ │ │ ├── ChemDoodleWeb-uis.js │ │ │ └── ChemDoodleWeb.js │ ├── htmlwidgets-0.8 │ │ └── htmlwidgets.js │ └── htmlwidgets-0.9 │ │ └── htmlwidgets.js ├── jquery.sticky-kit.min.js ├── link.svg ├── news │ └── index.html ├── pkgdown.css ├── pkgdown.js └── reference │ ├── chemdoodle_sketcher.html │ ├── chemdoodle_sketcherOutput.html │ ├── chemdoodle_slideshow.html │ ├── chemdoodle_slideshowOutput.html │ ├── chemdoodle_transform.html │ ├── chemdoodle_transformOutput.html │ ├── chemdoodle_viewer.html │ ├── chemdoodle_viewerOutput.html │ ├── createAtom.html │ ├── drawMolecule.html │ ├── index.html │ ├── mol_from_smiles.html │ ├── processChemDoodleJson.html │ ├── process_molecule.html │ ├── renderChemdoodle.html │ ├── smiles_to_json.html │ ├── toChemDoodle.html │ ├── toInChi.html │ └── toSmiles.html ├── examples ├── createsmiles │ └── app.R └── minimalshinyapp │ └── app.R ├── inst └── htmlwidgets │ ├── chemdoodle_sketcher.js │ ├── chemdoodle_sketcher.yaml │ ├── chemdoodle_slideshow.js │ ├── chemdoodle_slideshow.yaml │ ├── chemdoodle_transform.js │ ├── chemdoodle_transform.yaml │ ├── chemdoodle_viewer.js │ ├── chemdoodle_viewer.yaml │ └── lib │ └── chemdoodle │ ├── css │ ├── ChemDoodleWeb.css │ └── jquery-ui-1.11.4.css │ ├── images │ ├── animated-overlay.gif │ ├── ui-bg_flat_0_aaaaaa_40x100.png │ ├── ui-bg_flat_0_eeeeee_40x100.png │ ├── ui-bg_flat_55_c0402a_40x100.png │ ├── ui-bg_flat_55_eeeeee_40x100.png │ ├── ui-bg_glass_100_f8f8f8_1x400.png │ ├── ui-bg_glass_35_dddddd_1x400.png │ ├── ui-bg_glass_60_eeeeee_1x400.png │ ├── ui-bg_inset-hard_75_999999_1x100.png │ ├── ui-bg_inset-soft_50_c9c9c9_1x100.png │ ├── ui-icons_3383bb_256x240.png │ ├── ui-icons_454545_256x240.png │ ├── ui-icons_70b2e1_256x240.png │ ├── ui-icons_999999_256x240.png │ └── ui-icons_fbc856_256x240.png │ └── js │ ├── ChemDoodleWeb-uis.js │ └── ChemDoodleWeb.js └── man ├── chemdoodle_sketcher.Rd ├── chemdoodle_sketcherOutput.Rd ├── chemdoodle_slideshow.Rd ├── chemdoodle_slideshowOutput.Rd ├── chemdoodle_transform.Rd ├── chemdoodle_transformOutput.Rd ├── chemdoodle_viewer.Rd ├── chemdoodle_viewerOutput.Rd ├── createAtom.Rd ├── drawMolecule.Rd ├── mol_from_smiles.Rd ├── processChemDoodleJson.Rd ├── process_molecule.Rd ├── renderChemdoodle.Rd ├── smiles_to_json.Rd ├── toChemDoodle.Rd ├── toInChi.Rd └── toSmiles.Rd /.Rbuildignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zachcp/chemdoodle/HEAD/.Rbuildignore 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