I add the radial graphing options (the commit in shuaidev in 07/11). The idea is that if we have a lead compounds and the rest compounds are derivatives from the lead compounds, we want to have direct calculations from all derivatives to this lead compound and also create a cycle in between the derivatives. So the layout is similar to a bicycle and we name this option as radial option. I made changes to the code to have two radial options below:
The Complete radial option will pick the radial center (lead compound) automatically by the structure similarity: the ligand shared the most structural similarity with others will be picked as lead compound.
The Biased radial option will take the custom specified compound as the lead compound.
I add the radial graphing options (the commit in shuaidev in 07/11). The idea is that if we have a lead compounds and the rest compounds are derivatives from the lead compounds, we want to have direct calculations from all derivatives to this lead compound and also create a cycle in between the derivatives. So the layout is similar to a bicycle and we name this option as radial option. I made changes to the code to have two radial options below:
The Complete radial option will pick the radial center (lead compound) automatically by the structure similarity: the ligand shared the most structural similarity with others will be picked as lead compound.
The Biased radial option will take the custom specified compound as the lead compound.