Hi Paolo, Thanks. Out of interest, would others find JS support for SDF of interest? And (my understanding of how this works is very vague), would this be done by writing a JS parser for SDF and then using the existing functions, or would it somehow wrap the C++ SDF parsers? Tim
On Thu, Mar 3, 2022 at 8:35 PM Paolo Tosco <paolo.tosco.m...@gmail.com> wrote: > Hi Tim, > > Apart from the HTML demo page that you mentioned, you can find the current > JS bindings here: > > > https://github.com/rdkit/rdkit/blob/4bbbc6611dbe4bf05ed36ea795b3c6dc39bbdebc/Code/MinimalLib/jswrapper.cpp#L112 > > There's support for visualizing molecules from SMILES and CTAB, but > currently no support for SDF properties out of the box. > > Cheers, > p. > > On Thu, Mar 3, 2022 at 6:31 PM Tim Dudgeon <tdudgeon...@gmail.com> wrote: > >> Is there a full list of the RDKit functionality that is available from >> the JavaScript bindings ( >> https://github.com/rdkit/rdkit/tree/master/Code/MinimalLib)? Maybe I'm >> missing the obvious, but I can only find the examples e.g. >> https://unpkg.com/@rdkit/rdkit@2021.9.4/Code/MinimalLib/dist/GettingStartedInJS.html >> >> In particular I'm interested to know if there is any support for handling >> SD-files e.g as a list of molecules and their properties that can be >> displayed just with JavaScript. >> >> Tim >> _______________________________________________ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >
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