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Dear All,
I "googled" and looked around a little but could not find a sharp
answer.
I have a pdb file with a ligand and I want to generate the due CONECT
records in the pdb file, specially for the ligand (for docking purposes,
although AFAIK the CONECT in a PDB file records do not say about the nature
of the bonds - single, double, etc... - ?). I wanted to make some few tests
and it would be nice if there is a simple way to do this that is
command-line driven. Anyway, it is OK if I must be attached to a graphical
program (which ?).
Thanks,
***********************************************************************
Prof. Jorge Iulek, Ph. D.
Protein Purification and 3D Structure Determination Group
State University of Ponta Grossa
Telephone: ++ 55 - 42 - 3220-3062
Fax: ++ 55 - 42 - 3220-3262
[EMAIL PROTECTED]
[EMAIL PROTECTED]
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