ADL: Get Vina to use input conformation?

Douglas Houston DouglasR.Houston at ed.ac.uk
Fri Oct 31 03:44:38 PDT 2014


Hi all,

Can anyone tell me if it's possible to get Vina to skip the initial  
randomisation of conformation it does at the beginning of each docking  
run? Basically the equivalent of setting the -s flag for  
prepare_dpf4.py.

Perhaps if I used a special number for  --seed ... ?

cheers,
Doug
_____________________________________________________
Dr. Douglas R. Houston
Lecturer
Institute of Structural and Molecular Biology
Room 3.23, Michael Swann Building
King's Buildings
University of Edinburgh
Edinburgh, EH9 3JR, UK
Tel. 0131 650 7358
http://tinyurl.com/douglasrhouston

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