ADL: RE: maximum number of torsions

Pandey, Jaya JPandey at chla.usc.edu
Fri Sep 10 16:20:12 PDT 2004


 Dear All,

I also had the same kind of problem, when I tried to dock my native ligand
on the target which was a protein of 735 AAs, it just never happened and I
got the warning that too many torsions in the ligand. I will also like to
know how it is possible to dock a protein ligand of about that size on a
target. Any reply is appreciated.

Jaya

-----Original Message-----
From: Carsten Detering
To: autodock at scripps.edu
Sent: 9/10/2004 9:28 AM
Subject: ADL: maximum number of torsions

Dear all,

to my last message, I got unfortunately no reply.
If somebody could please give me some advice on how to modify autodock, 
so that it allows more than 32 torsions in the ligand. I changed the 
MAX_TORS value in constants.h to 50, and also the LINE_LEN in autocomm.h

to 256 (autodock was complaining that the value of 128 was too small), 
but now the compilation does not succeed.

Thanks a lot in advance,

Carsten

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