Which "cut-smarts" patterns (i.e. fragmentation parameters) are used by default for Transform function?

[chengthefang]

Hi All,

I am wondering which "cut-smarts" patterns are used by default in Transform function. That is, how does the program fragment a given molecule when applying a built MMPDB to do the transform? I couldn't find the parameter that controls the fragmentation methods in "transform" function.

Ideally, the transform function will fragment a molecule in the same way as how the MMPDB was built. But I am not sure if it is the case.

Thank you!
Cheng

[KramerChristian]

Hi Cheng,

mmpdb transform uses the same fragmentation pattern that was used to generate the DB. The pattern is stored in the DB and is automatically retreived from there.

Bests,
Christian