Nicholas Quinn

Ok, will try and do Daniel. I'll open another thread for questions about the files,...

Is there a way to extract a DWCSD from an XML? I could write it up as a side tool...

So in the compound creator, I make a compound, and it saves as a DWCSD... so how...

Thank you for the advice, very helpful!

Both, as I'd like to contribute several compounds that are not in the databases.

Also something isn't quite right in the simulation. And I'm not quite sure what is...

I made the whole thing again and thankfully it works now. By the way, as a side question,...

Hi, it's my first time posting here. Sorry if I post in the wrong category in advance....