Hi Peng -
You probably want to use `pair_fit` here, to align on a conserved core of atom
pairs between the two models. However, two complicating issues here are 1)
equivalent atoms are not listed in the same order in the .mol2 files, and 2)
they don't have atom names, which makes selecting th
It still very hard to see the differences and similarities. They just
look like a mess. Is there a good way to reveal the differences and
similarities? Are the stereochemistry of all the carbons different? It
seems that the best way is just to show the different ones.
On 3/24/20, sujiaqi wrote:
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