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Improved molecule editing/converting, etc.
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jacobdurrant committed Apr 8, 2020
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* Updated copyright notices.
* Created a separate, independent helper app called PDBQTConvert that can
convert files in many other formats (e.g., PDB, XYZ, CAN, SMI) to PDBQT (see
`pdbqt_convert/`). This app uses
and is GNU GPL licensed. We distribute it alongside Webina, but as a
separate program.
* Modified Webina so users can optionally use PDBQTConvert to convert their
files. Webina communicates with PDBQTConvert at "arms length," via an
* Added the ability to draw small-molecule ligands using the [PubChem
Sketcher]( provided by the
NIH (embedded via an iframe).


The initial version released with the publication.
* The initial version.
* Apache License 2.0.
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