Hi, I noticed that small molecules like methane or ethane have zero elements in their bonds or atomic arrangements. I did some quick research and saw that the arrays in AtomContainer2 are expanded to a default size of 20. I wondered why the arrays are not trimmed after successfully creating an AtomContainer? I am just asking out of interest, as we have discussed this point in our working group.
Best regards, Felix _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
