Re: [Rdkit-discuss] JS funtionality
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 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 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 >> > ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] JS funtionality
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 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 > ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] JS funtionality
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
