Mu Wang

mmpdb transform behaves unexpectedly

5

The transform rules in mmpdblib appears to miss some apparent cases. A test case with the following structures: ```tsv OC(c(cccc1)c1O)=O mol1 CCCCCCCC(c(cc1)cc(C(O)=O)c1O)=O mol2 CCCCCC(c(cc1)cc(C(O)=O)c1O)=O mol3 ``` with some properties: ```tsv...