ADL: error in parsing pdbqt file with vina
paola.bisignano at gmail.com
Fri Mar 26 02:29:08 PDT 2010
I run mydocking with autodock 4.2 and then I want to run my docking
also with vina, by using input pdbqt file, genereted previously with
autodock, but I had a problem with one of my ligands, STU
the error message is:
Reading input ...
Parse error on line 43 in file "STU.pdbqt": Atom 33 has not been found
in this branch
so I opened the pdbqt file and remove these lines:
BRANCH 12 33
ENDBRANCH 12 33
and then it runs
what does it mean?
More information about the autodock