[Dock-fans] Questions about post-processing results of Surflex-dock

[Xuejun Zhu]

Hi,
 
I have to questions about post-processing results of surflex-dock.
 
First, I docked a multimol2 file into the active site. After implementation of the commonds logprocess and get, I retrieved  the mol2 file of best soring conformer of each compound. While some of the retrieved compounds was just concluding several fragements with bonds lost. I can't figure out the problem. Can anybody help me? Thanks a lot.
 
Second, the recommended method for ranking results is to use a descending sort of the combination sore in the manual.well, how can I sort the result in a descending order? Is there any commond or softwares doing this?
 
Any help is highly appreciated!!!
 
XJ
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