Re: [Rdkit-discuss] Require your help on 'Weights' syntax

2019-10-10 Thread Greg Landrum
Hi Yurie, Welcome to the mailing list! The "Weights" property is used to define the position of the feature. A feature is defined by a query and it's position is calculated by doing a weighted average of the atoms matching that query. The "Weights" are the values used in the weighted average. In

[Rdkit-discuss] Require your help on 'Weights' syntax

2019-10-10 Thread Yurie Kim
Hello everyone, This is a person who is very new to RDkit, even more I have no knowledge of Python language. At the moment, boldly I am trying to write fdef file and am in the process of studying what "Greg Landrum" had written previously. Before I even fire away question, I wish to share some