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OCSR (Optical Chemical Structure Recognition)
This chapter provides notes and tutorial examples OCSR (Optical Chemical Structure Recognition) tools. Topics include introduction of StoneMIND Collector; capturing single molecue structure on the screen; scan entire PDF file for molecules on the Web. 2022-10-01, ∼434🔥, 0💬

Install StoneMIND Collector Client on Windows
This section provides a tutorial example on how to install StoneMIND Collector client on a Windows computer. 2022-10-01, ∼428🔥, 0💬

"obabel -o ... -O" - Output Data Format and Destination
This section provides tutorial examples on how to specify output data format and destination for the Open Babel 'obabel' command. 2022-10-01, ∼421🔥, 0💬

Use StoneMIND Collector Web Interface
This section provides a tutorial example on how to use the StoneMIND Collector Web Interface to scan an entire patent PDF document of 181 pages and recognize all molecules using 'IUPAC' and 'OCSR' methods. 2022-10-01, ∼412🔥, 0💬

Resources and Tools
This section provides a list of resources and tools for molecule study. 2022-10-01, ∼400🔥, 0💬

"obabel ... -o svg -xP300" - Control Image Size
This section provides a tutorial example on how to control molecule SVG image size using the Open Babel 'obabel ... -o svg -xPnnn' command. 2022-10-01, ∼400🔥, 0💬

References
This section provides a list of reference materials used in this book. 2022-10-01, ∼393🔥, 0💬

Tetrahedral Centers in SMILES
This section provides a quick introduction on Tetrahedral centers in SMILES. '@' is appended to a tetrahedral center atom in square brackets [] to indicate that the next 3 branches are in anticlockwise order when looking at them from the preceding bond diretion. 2022-10-01, ∼388🔥, 0💬

"obabel" vs. "babel" Open Babel Commands
This section provides a quick summary of differences between on Open Babel 'obabel' new command and 'babel' old command. 2022-10-01, ∼385🔥, 0💬

Use StoneMIND Collector on Windows
This section provides a tutorial example on how to use StoneMIND Collector client on a Windows computer to capture and recognize any molecule diagrams on the screen. 2022-10-01, ∼384🔥, 0💬

Cheminformatics Related Terminologies
This section provides a list of commonly used terminologies related to molecule study. 2022-10-01, ∼380🔥, 0💬

Download AlphaFold Package and Databases
This section provides a tutorial example on how to download AlphaFold open source package and required databases. 2022-10-01, ∼373🔥, 0💬

"obabel -x..." - Extra Options for Output Writing
This section provides a tutorial example on how to pass extra options to Open Babel 'obabel' command for writing molecule data in a specific format. 2022-10-01, ∼373🔥, 0💬

Branch Represenations in SMILES
This section provides a quick introduction on branch represenations in SMILES. An extra bond and its connected branch of atoms is represented in round brackets (...) inserted after the bonding atom and before any existing bonds. 2022-10-01, ∼363🔥, 0💬

"obabel -a..." - Extra Options for Input Reading
This section provides a tutorial example on how to pass extra options to Open Babel 'obabel' command for reading molecule data in a specific format. 2022-10-01, ∼361🔥, 0💬

"obabel -... --..." - Generic Conversion Options
This section provides quick introductions on generic conversion options for the Open Babel 'obabel' command that apply to all formats. 2022-10-01, ∼357🔥, 0💬

"obabel -o svg" - Molecule Picture in SVG
This section provides a quick introduction on Open Babel 'obabel -o svg' command to generate molecule picture in SVG (Scalable Vector Graphics) format. 2022-10-01, ∼348🔥, 0💬

"obabel ... -o svg -xS" - Ball/Stick Depiction in SVG
This section provides a tutorial example how to generate a SVG picture of a molecule structure in ball-stick style using the Open Babel 'obabel ... -o svg -xS' command. 2022-10-01, ∼348🔥, 0💬

"obabel ... -o svg -xC" - Hide Terminal C in SVG
This section provides a tutorial example how to hide carbon symbol 'C' on a terminal carbon atoms in a molecule SVG picture using the Open Babel 'obabel ... -o svg -xC' command. 2022-10-01, ∼345🔥, 0💬

"obabel ... -o svg" - Two "svg" XML Tag Levels
This section provides a quick introduction of two 'svg' tag levels used in the SVG XML source code generated by Open Babel 'obabel ... -o svg' command. 2022-10-01, ∼341🔥, 0💬

"obabel ... -o svg -xX" - Hide Implicit H in SVG
This section provides a tutorial example how to hide implicit hydrogen symbol 'H' on a non-carbon terminal atoms in a molecule SVG picture using the Open Babel 'obabel ... -o svg -xX' command. 2022-10-01, ∼338🔥, 0💬

Directional Bonds in SMILES
This section provides a quick introduction on directional bonds in SMILES. Directional bonds, '/' and '\', are used to identify different configurations on additional atoms connected a pair of double-bond connected atoms. 2022-10-01, ∼334🔥, 0💬

Stop StoneMIND Collector on Windows
This section provides a tutorial example on how to stop StoneMIND Collector on a Windows computer, including its background processes. 2022-10-01, ∼298🔥, 0💬

"obabel ... -o svg -xi" - Show Atom Indices in SVG
This section provides a tutorial example how to generate a SVG picture of a molecule structure including atom indices using the Open Babel 'obabel ... -o svg -xi' command. 2022-10-01, ∼275🔥, 0💬

<< < … 2 3 4 5 6 7 8 >   ∑:170  Sort:Rank

Android ASP Astrology Big5 Bitcoin Blowfish Built-in C# Calendar CD-DVD Cheminformatics Chinese Cryptography DES Email Encoding Ethereum Flash GB2312 General H Herong History HTML Java JavaScript JDBC JSP JVM Linux Molecule Movie Music MySQL Neural Network Perl PHP Physics PKI Publication Python REST SOAP Sorting Swing TV Series UML Unicode VBScript Web Web-Services Windows WSDL XML XMLPad XSD XSL-FO