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What Is Open Babel
This section provides a quick introduction of Open Babel, an open source chemical toolbox designed to speak the many languages of chemical data. 2022-10-01, ∼271🔥, 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, ∼270🔥, 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, ∼265🔥, 0💬
Charge Represenations in SMILES
This section provides a quick introduction on charge represenations in SMILES. Positive/negative charges are represented by repeating '+'/'-' symbols or '+n'/'-n'. 2022-10-01, ∼262🔥, 0💬
References
This section provides a list of reference materials used in this book. 2022-10-01, ∼256🔥, 0💬
Resources and Tools
This section provides a list of resources and tools for molecule study. 2022-10-01, ∼253🔥, 0💬
Cheminformatics Related Terminologies
This section provides a list of commonly used terminologies related to molecule study. 2022-10-01, ∼248🔥, 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, ∼247🔥, 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, ∼240🔥, 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, ∼239🔥, 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, ∼239🔥, 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, ∼228🔥, 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, ∼216🔥, 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, ∼206🔥, 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, ∼186🔥, 0💬
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