[Zinc-fans] requesting peer suggestions on docking and duplication

[John J. Irwin]

Hi Elite
>>>
>>> The question is, if we merge all the files into one single giga SDF 
>>> file, are the ZINC IDs unique to all the entries, meaning, can we 
>>> safely traceback the ligand of interest to its representative pH 
>>> subset?
>>>  
You may not be able to, since we use the same ZINC ID for all 
representations that can interconvert freely in buffer. If it is 
important to you to know, I suggest just merging _within_ each pH subset.

John
UCSF ZINC Team