Re: [Rdkit-discuss] JS funtionality

2022-03-04 Thread Tim Dudgeon
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,

Re: [Rdkit-discuss] JS funtionality

2022-03-03 Thread Paolo Tosco
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

[Rdkit-discuss] JS funtionality

2022-03-03 Thread Tim Dudgeon
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.